2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-
TL;DR: 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))- (CAS 178047-79-5) is a chemical compound with molecular formula C32H47N3O6 and molecular weight 569.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-[[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
Also Known As: 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-, [(1S,2S,4R)-2-Hydroxy-5-[[(S)-2-methyl-1-[[(2-methoxyethyl)amino]carbonyl]propyl]amino]-5-oxo-1,4-dibenzylpentyl]carbamic acid tert-butyl ester, 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, [7S-(7R*,10S*,12R*,13R*)]-, tert-Butyl [(2S,3S,5R)-5-benzyl-3-hydroxy-6-({(2S)-1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}amino)-6-oxo-1-phenylhexan-2-yl]carbamate, tert-butyl N-[(1S,2S,4R)-1,4-dibenzyl-2-hydroxy-5-[[(1S)-1-(2-methoxyethylcarbamoyl)-2-methyl-propyl]amino]-5-oxo-pentyl]carbamate
| Molecular Formula | C32H47N3O6 |
|---|---|
| Molecular Weight | 569.35 g/mol |
| LogP | 3.6357 |
| Topological Polar Surface Area | 125.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 569.3465 |
| Heavy Atoms | 41 |
| Complexity | 1071.8458 |
Chemical Identifiers
| CAS Number | 178047-79-5 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)NCCOC)NC(=O)[C@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O |
Product Overview
2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))- (CAS 178047-79-5), with molecular formula C32H47N3O6 and molecular weight 569.35 g/mol. IUPAC: tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-[[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate.
Chemical Property Profile of 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-
Property Insights of 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-
The XLogP value of 3.6357 indicates that 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-. Following Lipinski's Rule of Five, 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))- has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-?
The CAS number of 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))- is 178047-79-5.
What is the molecular formula of 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-?
The molecular formula of 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))- is C32H47N3O6.
What is the molecular weight of 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-?
The molecular weight of 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))- is 569.35 g/mol.
Where can I buy 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-?
You can request a quote for 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-10,13-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.