Benzoic acid, 2-chloro-, cyclopentyl ester
TL;DR: Benzoic acid, 2-chloro-, cyclopentyl ester (CAS 501356-76-9) is a chemical compound with molecular formula C12H13ClO2 and molecular weight 224.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopentyl 2-chlorobenzoate
Also Known As: Cyclopentyl 2-chlorobenzoate, Cyclopentyl 2-chlorobenzoate #, 2-Chlorobenzoic acid, cyclopentyl ester, Benzoic acid, 2-chloro-, cyclopentyl ester, 2-Chlorobenzoic acid cyclopentyl ester
| Molecular Formula | C12H13ClO2 |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06041 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 501356-76-9 |
|---|---|
| SMILES | C1CCC(C1)OC(=O)C2=CC=CC=C2Cl |
| InChIKey | KKOIWSPYLRKNBX-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-chloro-, cyclopentyl ester (CAS 501356-76-9), with molecular formula C12H13ClO2 and molecular weight 224.06 g/mol. IUPAC: cyclopentyl 2-chlorobenzoate.
Chemical Property Profile of Benzoic acid, 2-chloro-, cyclopentyl ester
Property Insights of Benzoic acid, 2-chloro-, cyclopentyl ester
The XLogP value of 3.6 indicates that Benzoic acid, 2-chloro-, cyclopentyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 2-chloro-, cyclopentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-chloro-, cyclopentyl ester has 0 hydrogen bond donor(s) and 2 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 Benzoic acid, 2-chloro-, cyclopentyl ester?
The CAS number of Benzoic acid, 2-chloro-, cyclopentyl ester is 501356-76-9.
What is the molecular formula of Benzoic acid, 2-chloro-, cyclopentyl ester?
The molecular formula of Benzoic acid, 2-chloro-, cyclopentyl ester is C12H13ClO2.
What is the molecular weight of Benzoic acid, 2-chloro-, cyclopentyl ester?
The molecular weight of Benzoic acid, 2-chloro-, cyclopentyl ester is 224.06 g/mol.
Where can I buy Benzoic acid, 2-chloro-, cyclopentyl ester?
You can request a quote for Benzoic acid, 2-chloro-, cyclopentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-chloro-, cyclopentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-chloro-, cyclopentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.