Isopropyl 2-chlorobenzoate
TL;DR: Isopropyl 2-chlorobenzoate (CAS 942-14-3) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-chlorobenzoate
Also Known As: Isopropyl 2-chlorobenzoate, propan-2-yl 2-chlorobenzoate, Isopropyl 2-chlorobenzoate #, 2-Chlorobenzoic acid, isopropyl ester, 2-Chlorobenzoic acid isopropyl ester
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 942-14-3 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=CC=C1Cl |
| InChIKey | ZQVYNQNVFVRHMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 2-chlorobenzoate (CAS 942-14-3), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: propan-2-yl 2-chlorobenzoate.
Chemical Property Profile of Isopropyl 2-chlorobenzoate
Property Insights of Isopropyl 2-chlorobenzoate
The XLogP value of 3.2 indicates that Isopropyl 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl 2-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 2-chlorobenzoate 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 Isopropyl 2-chlorobenzoate?
The CAS number of Isopropyl 2-chlorobenzoate is 942-14-3.
What is the molecular formula of Isopropyl 2-chlorobenzoate?
The molecular formula of Isopropyl 2-chlorobenzoate is C10H11ClO2.
What is the molecular weight of Isopropyl 2-chlorobenzoate?
The molecular weight of Isopropyl 2-chlorobenzoate is 198.04 g/mol.
Where can I buy Isopropyl 2-chlorobenzoate?
You can request a quote for Isopropyl 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.