4-Bromophenyl hexanoate
TL;DR: 4-Bromophenyl hexanoate (CAS 56052-27-8) is a chemical compound with molecular formula C12H15BrO2 and molecular weight 270.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) hexanoate
Also Known As: 4-Bromophenyl hexanoate, (4-bromophenyl) hexanoate, 4-Bromophenyl hexanoate #, Hexanoic acid, 4-bromophenyl ester, Hexanoic acid 4-bromophenyl ester
| Molecular Formula | C12H15BrO2 |
|---|---|
| Molecular Weight | 270.03 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.02554 |
| Heavy Atoms | 15 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 56052-27-8 |
|---|---|
| SMILES | CCCCCC(=O)OC1=CC=C(C=C1)Br |
| InChIKey | JRSQXNDXVKDBEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromophenyl hexanoate (CAS 56052-27-8), with molecular formula C12H15BrO2 and molecular weight 270.03 g/mol. IUPAC: (4-bromophenyl) hexanoate.
Chemical Property Profile of 4-Bromophenyl hexanoate
Property Insights of 4-Bromophenyl hexanoate
The XLogP value of 4.3 indicates that 4-Bromophenyl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Bromophenyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenyl hexanoate 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-Bromophenyl hexanoate?
The CAS number of 4-Bromophenyl hexanoate is 56052-27-8.
What is the molecular formula of 4-Bromophenyl hexanoate?
The molecular formula of 4-Bromophenyl hexanoate is C12H15BrO2.
What is the molecular weight of 4-Bromophenyl hexanoate?
The molecular weight of 4-Bromophenyl hexanoate is 270.03 g/mol.
Where can I buy 4-Bromophenyl hexanoate?
You can request a quote for 4-Bromophenyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromophenyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromophenyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.