4-Bromobutanoic acid, phenyl ester
TL;DR: 4-Bromobutanoic acid, phenyl ester (CAS 65671-24-1) is a chemical compound with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-bromobutanoate
Also Known As: Phenyl 4-bromobutanoate, Phenyl 4-bromobutanoate #, 4-bromo-butyric acid phenyl ester, 4-Bromobutanoic acid, phenyl ester
| Molecular Formula | C10H11BrO2 |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.99425 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 65671-24-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)CCCBr |
| InChIKey | HFEKLFKZHFTHOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromobutanoic acid, phenyl ester (CAS 65671-24-1), with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol. IUPAC: phenyl 4-bromobutanoate.
Chemical Property Profile of 4-Bromobutanoic acid, phenyl ester
Property Insights of 4-Bromobutanoic acid, phenyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromobutanoic acid, phenyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Bromobutanoic acid, phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromobutanoic acid, phenyl ester 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-Bromobutanoic acid, phenyl ester?
The CAS number of 4-Bromobutanoic acid, phenyl ester is 65671-24-1.
What is the molecular formula of 4-Bromobutanoic acid, phenyl ester?
The molecular formula of 4-Bromobutanoic acid, phenyl ester is C10H11BrO2.
What is the molecular weight of 4-Bromobutanoic acid, phenyl ester?
The molecular weight of 4-Bromobutanoic acid, phenyl ester is 241.99 g/mol.
Where can I buy 4-Bromobutanoic acid, phenyl ester?
You can request a quote for 4-Bromobutanoic acid, phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromobutanoic acid, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromobutanoic acid, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.