![2-[4-(Bromomethyl)benzoyl]benzoic acid structure](/static/products/906/90605-05-3.png)
2-[4-(Bromomethyl)benzoyl]benzoic acid
TL;DR: 2-[4-(Bromomethyl)benzoyl]benzoic acid (CAS 90605-05-3) is a chemical compound with molecular formula C15H11BrO3 and molecular weight 317.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(bromomethyl)benzoyl]benzoic acid
Also Known As: 2-[4-(bromomethyl)benzoyl]benzoic acid, o-(beta-Bromo-p-toluyl)benzoic acid
| Molecular Formula | C15H11BrO3 |
|---|---|
| Molecular Weight | 317.99 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.98917 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 90605-05-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)CBr)C(=O)O |
| InChIKey | IWPVPNYANNAZSI-UHFFFAOYSA-N |
Product Overview
2-[4-(Bromomethyl)benzoyl]benzoic acid (CAS 90605-05-3), with molecular formula C15H11BrO3 and molecular weight 317.99 g/mol. IUPAC: 2-[4-(bromomethyl)benzoyl]benzoic acid.
Chemical Property Profile of 2-[4-(Bromomethyl)benzoyl]benzoic acid
Property Insights of 2-[4-(Bromomethyl)benzoyl]benzoic acid
The XLogP value of 3.0 indicates that 2-[4-(Bromomethyl)benzoyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 2-[4-(Bromomethyl)benzoyl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(Bromomethyl)benzoyl]benzoic acid has 1 hydrogen bond donor(s) and 3 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 2-[4-(Bromomethyl)benzoyl]benzoic acid?
The CAS number of 2-[4-(Bromomethyl)benzoyl]benzoic acid is 90605-05-3.
What is the molecular formula of 2-[4-(Bromomethyl)benzoyl]benzoic acid?
The molecular formula of 2-[4-(Bromomethyl)benzoyl]benzoic acid is C15H11BrO3.
What is the molecular weight of 2-[4-(Bromomethyl)benzoyl]benzoic acid?
The molecular weight of 2-[4-(Bromomethyl)benzoyl]benzoic acid is 317.99 g/mol.
Where can I buy 2-[4-(Bromomethyl)benzoyl]benzoic acid?
You can request a quote for 2-[4-(Bromomethyl)benzoyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(Bromomethyl)benzoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(Bromomethyl)benzoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.