4-Chlorophenyl propionate
TL;DR: 4-Chlorophenyl propionate (CAS 6662-79-9) is a chemical compound with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) propanoate
Also Known As: 4-chlorophenyl propionate, (4-chlorophenyl) propanoate, Propanoic acid,4-chlorophenyl ester, (4-chlorophenyl)propanoate, 4-CHLOROPHENYL PROPANOATE
| Molecular Formula | C9H9ClO2 |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.02911 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 6662-79-9 |
|---|---|
| SMILES | CCC(=O)OC1=CC=C(C=C1)Cl |
| InChIKey | XKRRJFYQNKYWPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorophenyl propionate (CAS 6662-79-9), with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol. IUPAC: (4-chlorophenyl) propanoate.
Chemical Property Profile of 4-Chlorophenyl propionate
Property Insights of 4-Chlorophenyl propionate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorophenyl propionate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Chlorophenyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl propionate 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 4-Chlorophenyl propionate?
The CAS number of 4-Chlorophenyl propionate is 6662-79-9.
What is the molecular formula of 4-Chlorophenyl propionate?
The molecular formula of 4-Chlorophenyl propionate is C9H9ClO2.
What is the molecular weight of 4-Chlorophenyl propionate?
The molecular weight of 4-Chlorophenyl propionate is 184.03 g/mol.
Where can I buy 4-Chlorophenyl propionate?
You can request a quote for 4-Chlorophenyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl propionate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.