Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester
TL;DR: Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester (CAS 160790-12-5) is a chemical compound with molecular formula C17H23ClO4S and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 1-(4-chlorophenyl)sulfonylcycloheptane-1-carboxylate
Also Known As: Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester, propan-2-yl 1-(4-chlorobenzenesulfonyl)cycloheptane-1-carboxylate, propan-2-yl 1-(4-chlorophenyl)sulfonylcycloheptane-1-carboxylate, 1-(4-Chlorophenylsulfonyl)cycloheptane-1-carboxylic acid isopropyl ester, 1-[(4-Chlorophenyl)sulfonyl]cycloheptanecarboxylic acid isopropyl ester
| Molecular Formula | C17H23ClO4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.10056 |
| Heavy Atoms | 23 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 160790-12-5 |
|---|---|
| SMILES | CC(C)OC(=O)C1(CCCCCC1)S(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | CNCBPCXAUZPIGA-UHFFFAOYSA-N |
Product Overview
Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester (CAS 160790-12-5), with molecular formula C17H23ClO4S and molecular weight 358.10 g/mol. IUPAC: propan-2-yl 1-(4-chlorophenyl)sulfonylcycloheptane-1-carboxylate.
Chemical Property Profile of Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester
Property Insights of Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester
The XLogP value of 4.7 indicates that Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester. Following Lipinski's Rule of Five, Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl 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 Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester?
The CAS number of Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester is 160790-12-5.
What is the molecular formula of Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester?
The molecular formula of Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester is C17H23ClO4S.
What is the molecular weight of Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester?
The molecular weight of Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester is 358.10 g/mol.
Where can I buy Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester?
You can request a quote for Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cycloheptanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.