3-Chlorophenyl butyrate
TL;DR: 3-Chlorophenyl butyrate (CAS 29052-05-9) 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.
(3-chlorophenyl) butanoate
Also Known As: 3-Chlorophenyl butyrate, 3-chlorophenyl butanoate, (3-chlorophenyl) butanoate, 3-Chlorophenyl butyrate #, Butyric acid, m-chlorophenyl ester
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 3.1 |
| 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 | 29052-05-9 |
|---|---|
| SMILES | CCCC(=O)OC1=CC(=CC=C1)Cl |
| InChIKey | HZARZHYUFQHLAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chlorophenyl butyrate (CAS 29052-05-9), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: (3-chlorophenyl) butanoate.
Chemical Property Profile of 3-Chlorophenyl butyrate
Property Insights of 3-Chlorophenyl butyrate
The XLogP value of 3.1 indicates that 3-Chlorophenyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Chlorophenyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorophenyl butyrate 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 3-Chlorophenyl butyrate?
The CAS number of 3-Chlorophenyl butyrate is 29052-05-9.
What is the molecular formula of 3-Chlorophenyl butyrate?
The molecular formula of 3-Chlorophenyl butyrate is C10H11ClO2.
What is the molecular weight of 3-Chlorophenyl butyrate?
The molecular weight of 3-Chlorophenyl butyrate is 198.04 g/mol.
Where can I buy 3-Chlorophenyl butyrate?
You can request a quote for 3-Chlorophenyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorophenyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorophenyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.