ethanesulfonicacid,2-((8-(6-
TL;DR: ethanesulfonicacid,2-((8-(6- (CAS 81957-68-8) is a chemical compound with molecular formula C21H33NO6S and molecular weight 427.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[8-[6-(hydroxymethyl)-2,6-dimethyl-3-oxocyclohexen-1-yl]-2,6-dimethylocta-5,7-dienoyl]amino]ethanesulfonic acid
Also Known As: ethanesulfonicacid,2-((8-(6-, 2-[[8-[6-(hydroxymethyl)-2,6-dimethyl-3-oxocyclohexen-1-yl]-2,6-dimethylocta-5,7-dienoyl]amino]ethanesulfonic acid
| Molecular Formula | C21H33NO6S |
|---|---|
| Molecular Weight | 427.20 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 427.20285 |
| Heavy Atoms | 29 |
| Complexity | 804.0 |
Chemical Identifiers
| CAS Number | 81957-68-8 |
|---|---|
| SMILES | CC1=C(C(CCC1=O)(C)CO)C=CC(=CCCC(C)C(=O)NCCS(=O)(=O)O)C |
| InChIKey | BOVLETMKONPOKL-UHFFFAOYSA-N |
Product Overview
ethanesulfonicacid,2-((8-(6- (CAS 81957-68-8), with molecular formula C21H33NO6S and molecular weight 427.20 g/mol. IUPAC: 2-[[8-[6-(hydroxymethyl)-2,6-dimethyl-3-oxocyclohexen-1-yl]-2,6-dimethylocta-5,7-dienoyl]amino]ethanesulfonic acid.
Chemical Property Profile of ethanesulfonicacid,2-((8-(6-
Property Insights of ethanesulfonicacid,2-((8-(6-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethanesulfonicacid,2-((8-(6-. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethanesulfonicacid,2-((8-(6-. Following Lipinski's Rule of Five, ethanesulfonicacid,2-((8-(6- has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethanesulfonicacid,2-((8-(6-?
The CAS number of ethanesulfonicacid,2-((8-(6- is 81957-68-8.
What is the molecular formula of ethanesulfonicacid,2-((8-(6-?
The molecular formula of ethanesulfonicacid,2-((8-(6- is C21H33NO6S.
What is the molecular weight of ethanesulfonicacid,2-((8-(6-?
The molecular weight of ethanesulfonicacid,2-((8-(6- is 427.20 g/mol.
Where can I buy ethanesulfonicacid,2-((8-(6-?
You can request a quote for ethanesulfonicacid,2-((8-(6- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethanesulfonicacid,2-((8-(6-?
Yes, KEHONG BIO provides custom synthesis services for ethanesulfonicacid,2-((8-(6- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.