2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-((2-(1-methylethyl)-4-thiazolyl)methyl)hydrazide, monohydrochloride, (5S-(5R*,6R*,8R*,11R*))-
TL;DR: 2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-((2-(1-methylethyl)-4-thiazolyl)methyl)hydrazide, monohydrochloride, (5S-(5R*,6R*,8R*,11R*))- (CAS 15854-09-8) is a chemical compound with molecular formula C36H47N7O5S2 and molecular weight 721.308 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[amino-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
Also Known As: 2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-((2-(1-methylethyl)-4-thiazolyl)methyl)hydrazide, monohydrochloride, (5S-(5R*,6R*,8R*,11R*))-, thiazol-5-ylmethyl N-[(1S,2S,4S)-4-[[(2S)-2-[[amino-[(2-isopropylthiazol-4-yl)methyl]carbamoyl]amino]-3-methyl-butanoyl]amino]-1-benzyl-2-hydroxy-5-phenyl-pentyl]carbamate, 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[amino-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate, 2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-[[2-(1-methylethyl)-4-thiazolyl]methyl]hydrazide, monohydrochloride, [5S-(5R*,6R*,8R*,11R*)]-, N-(1-Hydroxy-1-{[4-hydroxy-5-({hydroxy[(1,3-thiazol-5-yl)methoxy]methylidene}amino)-1,6-diphenylhexan-2-yl]imino}-3-methylbutan-2-yl)-1-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}hydrazine-1-carboximidic acid
Technical Specifications
| Molecular Formula | C36H47N7O5S2 |
| Molecular Weight | 721.308 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 228.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 721.308 Da |
| Heavy Atoms | 50 |
| Complexity | 1050.0 |
| SMILES | CC(C)C1=NC(=CS1)CN(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O)N |
| InChIKey | VPCVPKADSFJGMI-QJANCWQKSA-N |
Chemical Property Profile of 2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-((2-(1-methylethyl)-4-thiazolyl)methyl)hydrazide, monohydrochloride, (5S-(5R*,6R*,8R*,11R*))-
Property Insights of 2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-((2-(1-methylethyl)-4-thiazolyl)methyl)hydrazide, monohydrochloride, (5S-(5R*,6R*,8R*,11R*))-
The XLogP value of 5.3 indicates that 2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-((2-(1-methylethyl)-4-thiazolyl)methyl)hydrazide, monohydrochloride, (5S-(5R*,6R*,8R*,11R*))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 228.0 Ų indicates high polarity, suggesting 2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-((2-(1-methylethyl)-4-thiazolyl)methyl)hydrazide, monohydrochloride, (5S-(5R*,6R*,8R*,11R*))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-((2-(1-methylethyl)-4-thiazolyl)methyl)hydrazide, monohydrochloride, (5S-(5R*,6R*,8R*,11R*))- has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-((2-(1-methylethyl)-4-thiazolyl)methyl)hydrazide, monohydrochloride, (5S-(5R*,6R*,8R*,11R*))-?
The CAS number of 2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-((2-(1-methylethyl)-4-thiazolyl)methyl)hydrazide, monohydrochloride, (5S-(5R*,6R*,8R*,11R*))- is 15854-09-8.
What is the molecular formula of 2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-((2-(1-methylethyl)-4-thiazolyl)methyl)hydrazide, monohydrochloride, (5S-(5R*,6R*,8R*,11R*))-?
The molecular formula of 2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-((2-(1-methylethyl)-4-thiazolyl)methyl)hydrazide, monohydrochloride, (5S-(5R*,6R*,8R*,11R*))- is C36H47N7O5S2.
What is the molecular weight of 2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-((2-(1-methylethyl)-4-thiazolyl)methyl)hydrazide, monohydrochloride, (5S-(5R*,6R*,8R*,11R*))-?
The molecular weight of 2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-((2-(1-methylethyl)-4-thiazolyl)methyl)hydrazide, monohydrochloride, (5S-(5R*,6R*,8R*,11R*))- is 721.308 g/mol.
Where can I buy 2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-((2-(1-methylethyl)-4-thiazolyl)methyl)hydrazide, monohydrochloride, (5S-(5R*,6R*,8R*,11R*))-?
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Yes, CoreyChem provides custom synthesis services for 2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-((2-(1-methylethyl)-4-thiazolyl)methyl)hydrazide, monohydrochloride, (5S-(5R*,6R*,8R*,11R*))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.