12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))-
TL;DR: 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))- (CAS 15796-70-0) is a chemical compound with molecular formula C37H47N5O6S2 and molecular weight 721.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl N-[(2S)-1-[[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))-, (2S,3S,5S)-2-(N-(N-((2-(2-Isopropyl-4-thiazolyl)ethoxy) carbonyl)valinyl)amino)-5-(N-((5-thiazolyl)methoxycarbonyl) amino)-1,6-diphenyl-3-hydroxyhexane, (2S,3S,5S)-2-(N-(N-((2-(2-Isopropyl-4-thiazolyl)ethoxy)carbonyl)valinyl)amino )-5-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane, (2S,3S,5S)-2-(N-(N-((2-(2-Isopropyl-4-thiazolyl)ethoxy)carbonyl)valinyl)amino)-5-(N-((5-thiazolyl)methoxycarbonyl)amino)-1 .6-diphenyl-3-hydroxyhexane, (2S,3S,5S)-2-(N-(N-((2-(2-Isopropyl-4-thiazolyl)ethoxy)carbonyl)valinyl)amino)-5-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
| Molecular Formula | C37H47N5O6S2 |
|---|---|
| Molecular Weight | 721.30 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Exact Mass | 721.29675 |
| Heavy Atoms | 50 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 15796-70-0 |
|---|---|
| SMILES | CC(C)C1=NC(=CS1)CCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O |
| InChIKey | QMADZRJIMKMMAK-BBXFGWPUSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))- (CAS 15796-70-0), with molecular formula C37H47N5O6S2 and molecular weight 721.30 g/mol. IUPAC: 2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl N-[(2S)-1-[[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))-
Property Insights of 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))-
The XLogP value of 6.9 indicates that 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 208.0 Ų indicates high polarity, suggesting 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))- has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))-?
The CAS number of 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))- is 15796-70-0.
What is the molecular formula of 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))-?
The molecular formula of 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))- is C37H47N5O6S2.
What is the molecular weight of 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))-?
The molecular weight of 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))- is 721.30 g/mol.
Where can I buy 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))-?
You can request a quote for 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))-?
Yes, KEHONG BIO provides custom synthesis services for 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.