11-(3-amino-3-oxopropyl)-8-(2-(tert-butoxy)-2-oxoethyl)-5-(3-(tert-butoxy)-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid
TL;DR: 11-(3-amino-3-oxopropyl)-8-(2-(tert-butoxy)-2-oxoethyl)-5-(3-(tert-butoxy)-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid (CAS 1397021-12-3) is a chemical compound with molecular formula C30H44N4O11 and molecular weight 636.30066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-2-[[4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
Also Known As: 11-(3-amino-3-oxopropyl)-8-(2-(tert-butoxy)-2-oxoethyl)-5-(3-(tert-butoxy)-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid, 11-(3-amino-3-oxopropyl)-8-(2-tert-butoxy-2-oxoethyl)-5-(3-tert-butoxy-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid (non-preferred name), 5-amino-2-[[4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
Technical Specifications
| Molecular Formula | C30H44N4O11 |
| Molecular Weight | 636.30066 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 230.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 21 |
| Exact Mass | 636.30066 Da |
| Heavy Atoms | 45 |
| Complexity | 1060.0 |
| SMILES | CC(C)(C)OC(=O)CCC(C(=O)NC(CC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | PHWAJZBFJSWBIQ-UHFFFAOYSA-N |
Chemical Property Profile of 11-(3-amino-3-oxopropyl)-8-(2-(tert-butoxy)-2-oxoethyl)-5-(3-(tert-butoxy)-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid
Property Insights of 11-(3-amino-3-oxopropyl)-8-(2-(tert-butoxy)-2-oxoethyl)-5-(3-(tert-butoxy)-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-(3-amino-3-oxopropyl)-8-(2-(tert-butoxy)-2-oxoethyl)-5-(3-(tert-butoxy)-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid. The TPSA of 230.0 Ų indicates high polarity, suggesting 11-(3-amino-3-oxopropyl)-8-(2-(tert-butoxy)-2-oxoethyl)-5-(3-(tert-butoxy)-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11-(3-amino-3-oxopropyl)-8-(2-(tert-butoxy)-2-oxoethyl)-5-(3-(tert-butoxy)-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 11-(3-amino-3-oxopropyl)-8-(2-(tert-butoxy)-2-oxoethyl)-5-(3-(tert-butoxy)-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid?
The CAS number of 11-(3-amino-3-oxopropyl)-8-(2-(tert-butoxy)-2-oxoethyl)-5-(3-(tert-butoxy)-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid is 1397021-12-3.
What is the molecular formula of 11-(3-amino-3-oxopropyl)-8-(2-(tert-butoxy)-2-oxoethyl)-5-(3-(tert-butoxy)-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid?
The molecular formula of 11-(3-amino-3-oxopropyl)-8-(2-(tert-butoxy)-2-oxoethyl)-5-(3-(tert-butoxy)-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid is C30H44N4O11.
What is the molecular weight of 11-(3-amino-3-oxopropyl)-8-(2-(tert-butoxy)-2-oxoethyl)-5-(3-(tert-butoxy)-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid?
The molecular weight of 11-(3-amino-3-oxopropyl)-8-(2-(tert-butoxy)-2-oxoethyl)-5-(3-(tert-butoxy)-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid is 636.30066 g/mol.
Where can I buy 11-(3-amino-3-oxopropyl)-8-(2-(tert-butoxy)-2-oxoethyl)-5-(3-(tert-butoxy)-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid?
You can request a quote for 11-(3-amino-3-oxopropyl)-8-(2-(tert-butoxy)-2-oxoethyl)-5-(3-(tert-butoxy)-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 11-(3-amino-3-oxopropyl)-8-(2-(tert-butoxy)-2-oxoethyl)-5-(3-(tert-butoxy)-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid?
Yes, CoreyChem provides custom synthesis services for 11-(3-amino-3-oxopropyl)-8-(2-(tert-butoxy)-2-oxoethyl)-5-(3-(tert-butoxy)-3-oxopropyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.