ES 6864
TL;DR: ES 6864 (CAS 116326-39-7) is a chemical compound with molecular formula C42H58N6O7S and molecular weight 790.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyclohexyl-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-[[2-[[4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]-3-(1,3-thiazol-4-yl)propanoyl]amino]pentanamide
Also Known As: ES 6864, 5-cyclohexyl-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-[[2-[[4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]-3-(1,3-thiazol-4-yl)propanoyl]amino]pentanamide, (S-(R*,S*))-5-Cyclohexyl-2,4,5-trideoxy-N-(2-(4-morpholinyl)ethyl)-4-((2-((4-(4-morpholinyl)-2-(1-naphthalenylmethyl)-1,4-dioxobutyl)amino)-1-oxo-3-(4-thiazolyl)propyl)amino)-L-threo-pentonamide, 5-cyclohexyl-3-hydroxy-4-(2-(4-morpholino-2-(naphthalen-1-ylmethyl)-4-oxobutanamido)-3-(thiazol-4-yl)propanamido)-N-(2-morpholinoethyl)pentanamide, N-(3-Morpholinocarbonyl-2-(1-npahthylmethyl)propionyl)-(4-thiazolyl)-L-alanyl-cyclostatine-(2-morpholinoethyl)amide
| Molecular Formula | C42H58N6O7S |
|---|---|
| Molecular Weight | 790.41 g/mol |
| LogP | 3.086 |
| Topological Polar Surface Area | 162.43 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 790.40875 |
| Heavy Atoms | 56 |
| Complexity | 1703.032 |
Chemical Identifiers
| CAS Number | 116326-39-7 |
|---|---|
| SMILES | C1CCC(CC1)CC(C(CC(=O)NCCN2CCOCC2)O)NC(=O)C(CC3=CSC=N3)NC(=O)C(CC4=CC=CC5=CC=CC=C54)CC(=O)N6CCOCC6 |
Product Overview
ES 6864 (CAS 116326-39-7), with molecular formula C42H58N6O7S and molecular weight 790.41 g/mol. IUPAC: 5-cyclohexyl-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-[[2-[[4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]-3-(1,3-thiazol-4-yl)propanoyl]amino]pentanamide.
Chemical Property Profile of ES 6864
Property Insights of ES 6864
The XLogP value of 3.086 indicates that ES 6864 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.43 Ų indicates high polarity, suggesting ES 6864 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ES 6864 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 ES 6864?
The CAS number of ES 6864 is 116326-39-7.
What is the molecular formula of ES 6864?
The molecular formula of ES 6864 is C42H58N6O7S.
What is the molecular weight of ES 6864?
The molecular weight of ES 6864 is 790.41 g/mol.
Where can I buy ES 6864?
You can request a quote for ES 6864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ES 6864?
Yes, KEHONG BIO provides custom synthesis services for ES 6864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.