4-Bromo-2-chlorophenyl 3-phenylpropanoate
TL;DR: 4-Bromo-2-chlorophenyl 3-phenylpropanoate (CAS 587841-29-0) is a chemical compound with molecular formula C15H12BrClO2 and molecular weight 337.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-chlorophenyl) 3-phenylpropanoate
Also Known As: 4-bromo-2-chlorophenyl 3-phenylpropanoate, (4-bromo-2-chlorophenyl) 3-phenylpropanoate, AN-329/41609784
| Molecular Formula | C15H12BrClO2 |
|---|---|
| Molecular Weight | 337.97 g/mol |
| LogP | 4.6407 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.97092 |
| Heavy Atoms | 19 |
| Complexity | 569.61316 |
Chemical Identifiers
| CAS Number | 587841-29-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)Br)Cl |
Product Overview
4-Bromo-2-chlorophenyl 3-phenylpropanoate (CAS 587841-29-0), with molecular formula C15H12BrClO2 and molecular weight 337.97 g/mol. IUPAC: (4-bromo-2-chlorophenyl) 3-phenylpropanoate.
Chemical Property Profile of 4-Bromo-2-chlorophenyl 3-phenylpropanoate
Property Insights of 4-Bromo-2-chlorophenyl 3-phenylpropanoate
The XLogP value of 4.6407 indicates that 4-Bromo-2-chlorophenyl 3-phenylpropanoate 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-Bromo-2-chlorophenyl 3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-chlorophenyl 3-phenylpropanoate 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-Bromo-2-chlorophenyl 3-phenylpropanoate?
The CAS number of 4-Bromo-2-chlorophenyl 3-phenylpropanoate is 587841-29-0.
What is the molecular formula of 4-Bromo-2-chlorophenyl 3-phenylpropanoate?
The molecular formula of 4-Bromo-2-chlorophenyl 3-phenylpropanoate is C15H12BrClO2.
What is the molecular weight of 4-Bromo-2-chlorophenyl 3-phenylpropanoate?
The molecular weight of 4-Bromo-2-chlorophenyl 3-phenylpropanoate is 337.97 g/mol.
Where can I buy 4-Bromo-2-chlorophenyl 3-phenylpropanoate?
You can request a quote for 4-Bromo-2-chlorophenyl 3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-chlorophenyl 3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-chlorophenyl 3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.