Propyl 2-chlorobenzoate
TL;DR: Propyl 2-chlorobenzoate (CAS 31191-19-2) 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.
propyl 2-chlorobenzoate
Also Known As: propyl 2-chlorobenzoate, propyl2-chlorobenzoate, Benzoic acid, 2-chloro, propyl ester, 2-Chlorobenzoic acid propyl ester, Benzoic acid,2-chloro-, propyl ester
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 31191-19-2 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=CC=C1Cl |
| InChIKey | UDEIXQKSOXLXBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl 2-chlorobenzoate (CAS 31191-19-2), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: propyl 2-chlorobenzoate.
Chemical Property Profile of Propyl 2-chlorobenzoate
Property Insights of Propyl 2-chlorobenzoate
The XLogP value of 4.2 indicates that Propyl 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, Propyl 2-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl 2-chlorobenzoate?
The CAS number of Propyl 2-chlorobenzoate is 31191-19-2.
What is the molecular formula of Propyl 2-chlorobenzoate?
The molecular formula of Propyl 2-chlorobenzoate is C10H11ClO2.
What is the molecular weight of Propyl 2-chlorobenzoate?
The molecular weight of Propyl 2-chlorobenzoate is 198.04 g/mol.
Where can I buy Propyl 2-chlorobenzoate?
You can request a quote for Propyl 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.