4-(Benzyloxy)-3-bromobenzoic acid
TL;DR: 4-(Benzyloxy)-3-bromobenzoic acid (CAS 501657-77-8) is a chemical compound with molecular formula C14H11BrO3 and molecular weight 305.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-phenylmethoxybenzoic acid
Also Known As: 4-(benzyloxy)-3-bromobenzoic acid, 4-Benzyloxy-3-bromobenzoic acid, 3-bromo-4-phenylmethoxybenzoic acid, 4-Benzyloxy-3-bromo-benzoic acid, 3-bromo-4-(phenylmethoxy)benzoic acid
| Molecular Formula | C14H11BrO3 |
|---|---|
| Molecular Weight | 305.99 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.98917 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 501657-77-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)O)Br |
| InChIKey | LLEJAZSHLCCNNV-UHFFFAOYSA-N |
Product Overview
4-(Benzyloxy)-3-bromobenzoic acid (CAS 501657-77-8), with molecular formula C14H11BrO3 and molecular weight 305.99 g/mol. IUPAC: 3-bromo-4-phenylmethoxybenzoic acid.
Chemical Property Profile of 4-(Benzyloxy)-3-bromobenzoic acid
Property Insights of 4-(Benzyloxy)-3-bromobenzoic acid
The XLogP value of 3.6 indicates that 4-(Benzyloxy)-3-bromobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-(Benzyloxy)-3-bromobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzyloxy)-3-bromobenzoic 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 4-(Benzyloxy)-3-bromobenzoic acid?
The CAS number of 4-(Benzyloxy)-3-bromobenzoic acid is 501657-77-8.
What is the molecular formula of 4-(Benzyloxy)-3-bromobenzoic acid?
The molecular formula of 4-(Benzyloxy)-3-bromobenzoic acid is C14H11BrO3.
What is the molecular weight of 4-(Benzyloxy)-3-bromobenzoic acid?
The molecular weight of 4-(Benzyloxy)-3-bromobenzoic acid is 305.99 g/mol.
Where can I buy 4-(Benzyloxy)-3-bromobenzoic acid?
You can request a quote for 4-(Benzyloxy)-3-bromobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzyloxy)-3-bromobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzyloxy)-3-bromobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.