2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-
TL;DR: 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))- (CAS 15866-79-2) is a chemical compound with molecular formula C39H52N6O5S2 and molecular weight 748.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
Also Known As: 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-, 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate, 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-[[2-(1-methylethyl)-4-thiazolyl]methyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [3S-(3R*,4R*,6R*,9R*)]-, N-[(2S,4S,5S)-4-Hydroxy-1,6-diphenyl-5-({[(1,3-thiazol-5-yl)methoxy]carbonyl}amino)hexan-2-yl]-N~2~-[{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}(propyl)carbamoyl]-L-valinamide, n-[(2s,4s,5s)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-n2-[{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}(propyl)carbamoyl]-l-valinamide
| Molecular Formula | C39H52N6O5S2 |
|---|---|
| Molecular Weight | 748.34 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 748.34406 |
| Heavy Atoms | 52 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 15866-79-2 |
|---|---|
| SMILES | CCCN(CC1=CSC(=N1)C(C)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 | SCLFVFBEHIWYHC-RONNFESSSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))- (CAS 15866-79-2), with molecular formula C39H52N6O5S2 and molecular weight 748.34 g/mol. IUPAC: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate.
Chemical Property Profile of 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-
Property Insights of 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-
The XLogP value of 6.9 indicates that 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))- has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-?
The CAS number of 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))- is 15866-79-2.
What is the molecular formula of 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-?
The molecular formula of 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))- is C39H52N6O5S2.
What is the molecular weight of 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-?
The molecular weight of 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))- is 748.34 g/mol.
Where can I buy 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-?
You can request a quote for 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-?
Yes, KEHONG BIO provides custom synthesis services for 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.