Propyl 4-chlorobenzoate
TL;DR: Propyl 4-chlorobenzoate (CAS 25800-30-0) 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 4-chlorobenzoate
Also Known As: Propyl 4-chlorobenzoate, Propyl4-chlorobenzoate, 4-chloro-benzoic acid propyl ester, 4-Chlorobenzoic acid, propyl ester, 4-Chlorobenzoic acid propyl ester
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 4.0 |
| 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 | 162.0 |
Chemical Identifiers
| CAS Number | 25800-30-0 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)Cl |
| InChIKey | BLEFFSGNRQPNCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl 4-chlorobenzoate (CAS 25800-30-0), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: propyl 4-chlorobenzoate.
Chemical Property Profile of Propyl 4-chlorobenzoate
Property Insights of Propyl 4-chlorobenzoate
The XLogP value of 4.0 indicates that Propyl 4-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 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 4-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 4-chlorobenzoate?
The CAS number of Propyl 4-chlorobenzoate is 25800-30-0.
What is the molecular formula of Propyl 4-chlorobenzoate?
The molecular formula of Propyl 4-chlorobenzoate is C10H11ClO2.
What is the molecular weight of Propyl 4-chlorobenzoate?
The molecular weight of Propyl 4-chlorobenzoate is 198.04 g/mol.
Where can I buy Propyl 4-chlorobenzoate?
You can request a quote for Propyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.