Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester
TL;DR: Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester (CAS 160790-19-2) is a chemical compound with molecular formula C14H18O4S and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(benzenesulfonyl)cyclohexane-1-carboxylate
Also Known As: methyl 1-(benzenesulfonyl)cyclohexane-1-carboxylate, Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester, methyl 1-(phenylsulfonyl)cyclohexane-1-carboxylate, 1-(Phenylsulfonyl)cyclohexanecarboxylic acid methyl ester, Cyclohexanecarboxylic acid,1-(phenylsulfonyl)-,methyl ester
| Molecular Formula | C14H18O4S |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.0926 |
| Heavy Atoms | 19 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 160790-19-2 |
|---|---|
| SMILES | COC(=O)C1(CCCCC1)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | QKXWKAIGVBVCPM-UHFFFAOYSA-N |
Product Overview
Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester (CAS 160790-19-2), with molecular formula C14H18O4S and molecular weight 282.09 g/mol. IUPAC: methyl 1-(benzenesulfonyl)cyclohexane-1-carboxylate.
Chemical Property Profile of Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester
Property Insights of Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester has 0 hydrogen bond donor(s) and 4 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 Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester?
The CAS number of Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester is 160790-19-2.
What is the molecular formula of Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester?
The molecular formula of Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester is C14H18O4S.
What is the molecular weight of Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester?
The molecular weight of Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester is 282.09 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester?
You can request a quote for Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.