2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-
TL;DR: 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))- (CAS 15831-62-6) is a chemical compound with molecular formula C39H52N6O5S2 and molecular weight 748.34406 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)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-pentan-3-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
Also Known As: 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-, 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-pentan-3-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate, 2,4,7,12-Tetraazatridecan-13-oic acid, 1-[2-(1-ethylpropyl)-4-thiazolyl]-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [5S-(5R*,8R*,10R*,11R*)]-, N-[(2S,4S,5S)-4-Hydroxy-1,6-diphenyl-5-({[(1,3-thiazol-5-yl)methoxy]carbonyl}amino)hexan-2-yl]-N~2~-(methyl{[2-(pentan-3-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide, n-[(2s,4s,5s)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-n2-(methyl{[2-(pentan-3-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-l-valinamide
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C39H52N6O5S2 |
| Molecular Weight | 748.34406 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 202.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 748.34406 Da |
| Heavy Atoms | 52 |
| Complexity | 1070.0 |
| SMILES | CCC(CC)C1=NC(=CS1)CN(C)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 |
| InChIKey | GDPWDNJJVZDXAY-RONNFESSSA-N |
Chemical Property Profile of 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-
Property Insights of 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-
The XLogP value of 6.8 indicates that 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))- has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-?
The CAS number of 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))- is 15831-62-6.
What is the molecular formula of 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-?
The molecular formula of 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))- is C39H52N6O5S2.
What is the molecular weight of 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-?
The molecular weight of 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))- is 748.34406 g/mol.
Where can I buy 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-?
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Does CoreyChem offer custom synthesis for 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-?
Yes, CoreyChem provides custom synthesis services for 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.