Butanoic acid, 4-bromophenyl ester
TL;DR: Butanoic acid, 4-bromophenyl ester (CAS 29052-06-0) 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.
(4-bromophenyl) butanoate
Also Known As: 4-Bromophenyl butanoate, 4-Bromophenyl butyrate, p-Bromophenyl butyrate, 4-bromophenylbutyrate, (4-bromophenyl) butanoate
| Molecular Formula | C10H11BrO2 |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.99425 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 29052-06-0 |
|---|---|
| SMILES | CCCC(=O)OC1=CC=C(C=C1)Br |
| InChIKey | PGUDBLNEUOQDEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 4-bromophenyl ester (CAS 29052-06-0), with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol. IUPAC: (4-bromophenyl) butanoate.
Chemical Property Profile of Butanoic acid, 4-bromophenyl ester
Property Insights of Butanoic acid, 4-bromophenyl ester
The XLogP value of 3.2 indicates that Butanoic acid, 4-bromophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 4-bromophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 4-bromophenyl 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 Butanoic acid, 4-bromophenyl ester?
The CAS number of Butanoic acid, 4-bromophenyl ester is 29052-06-0.
What is the molecular formula of Butanoic acid, 4-bromophenyl ester?
The molecular formula of Butanoic acid, 4-bromophenyl ester is C10H11BrO2.
What is the molecular weight of Butanoic acid, 4-bromophenyl ester?
The molecular weight of Butanoic acid, 4-bromophenyl ester is 241.99 g/mol.
Where can I buy Butanoic acid, 4-bromophenyl ester?
You can request a quote for Butanoic acid, 4-bromophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-bromophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-bromophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.