Phenyl 4-chlorobutyrate
TL;DR: Phenyl 4-chlorobutyrate (CAS 54839-22-4) 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.
phenyl 4-chlorobutanoate
Also Known As: Phenyl 4-chlorobutyrate, phenyl 4-chlorobutanoate, 4-Chlor-benzoesaeure-phenylester, 4-Chlorobutyric acid, phenyl ester, 4-CHLOROBUTYRIC ACID PHENYL ESTER
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 54839-22-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)CCCCl |
| InChIKey | PGNJLBWZQUKEHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl 4-chlorobutyrate (CAS 54839-22-4), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: phenyl 4-chlorobutanoate.
Chemical Property Profile of Phenyl 4-chlorobutyrate
Property Insights of Phenyl 4-chlorobutyrate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 4-chlorobutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Phenyl 4-chlorobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 4-chlorobutyrate 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 Phenyl 4-chlorobutyrate?
The CAS number of Phenyl 4-chlorobutyrate is 54839-22-4.
What is the molecular formula of Phenyl 4-chlorobutyrate?
The molecular formula of Phenyl 4-chlorobutyrate is C10H11ClO2.
What is the molecular weight of Phenyl 4-chlorobutyrate?
The molecular weight of Phenyl 4-chlorobutyrate is 198.04 g/mol.
Where can I buy Phenyl 4-chlorobutyrate?
You can request a quote for Phenyl 4-chlorobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 4-chlorobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 4-chlorobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.