Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester
TL;DR: Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester (CAS 88952-05-0) is a chemical compound with molecular formula C16H13BrO4 and molecular weight 348.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyl-4-bromophenyl) 3-methoxybenzoate
Also Known As: Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester, 2-acetyl-4-bromophenyl 3-methoxybenzoate, (2-acetyl-4-bromophenyl) 3-methoxybenzoate
| Molecular Formula | C16H13BrO4 |
|---|---|
| Molecular Weight | 348.00 g/mol |
| LogP | 3.8795 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.99973 |
| Heavy Atoms | 21 |
| Complexity | 694.4264 |
Chemical Identifiers
| CAS Number | 88952-05-0 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC(=C1)Br)OC(=O)C2=CC(=CC=C2)OC |
Product Overview
Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester (CAS 88952-05-0), with molecular formula C16H13BrO4 and molecular weight 348.00 g/mol. IUPAC: (2-acetyl-4-bromophenyl) 3-methoxybenzoate.
Chemical Property Profile of Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester
Property Insights of Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester
The XLogP value of 3.8795 indicates that Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester has 0 hydrogen bond donor(s) and 4 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 Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester?
The CAS number of Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester is 88952-05-0.
What is the molecular formula of Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester?
The molecular formula of Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester is C16H13BrO4.
What is the molecular weight of Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester?
The molecular weight of Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester is 348.00 g/mol.
Where can I buy Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester?
You can request a quote for Benzoic acid, 3-methoxy-, 2-acetyl-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 Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-methoxy-, 2-acetyl-4-bromophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.