4-(Bromomethyl)phenoxyacetic acid
TL;DR: 4-(Bromomethyl)phenoxyacetic acid (CAS 126771-41-3) is a chemical compound with molecular formula C9H9BrO3 and molecular weight 243.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(bromomethyl)phenoxy]acetic acid
Also Known As: 4-(BROMOMETHYL)PHENOXYACETIC ACID, 2-[4-(bromomethyl)phenoxy]acetic Acid, 2-(4-(bromomethyl)phenoxy)acetic acid, 4-bromomethylphenoxyacetic acid, bis-2,3-dimethoxyphenyl sulfide
| Molecular Formula | C9H9BrO3 |
|---|---|
| Molecular Weight | 243.97 g/mol |
| LogP | 2.0449 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.97351 |
| Heavy Atoms | 13 |
| Complexity | 281.41623 |
Chemical Identifiers
| CAS Number | 126771-41-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CBr)OCC(=O)O |
Product Overview
4-(Bromomethyl)phenoxyacetic acid (CAS 126771-41-3), with molecular formula C9H9BrO3 and molecular weight 243.97 g/mol. IUPAC: 2-[4-(bromomethyl)phenoxy]acetic acid.
Chemical Property Profile of 4-(Bromomethyl)phenoxyacetic acid
Property Insights of 4-(Bromomethyl)phenoxyacetic acid
The XLogP value of 2.0449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Bromomethyl)phenoxyacetic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 4-(Bromomethyl)phenoxyacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Bromomethyl)phenoxyacetic acid has 1 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-(Bromomethyl)phenoxyacetic acid?
The CAS number of 4-(Bromomethyl)phenoxyacetic acid is 126771-41-3.
What is the molecular formula of 4-(Bromomethyl)phenoxyacetic acid?
The molecular formula of 4-(Bromomethyl)phenoxyacetic acid is C9H9BrO3.
What is the molecular weight of 4-(Bromomethyl)phenoxyacetic acid?
The molecular weight of 4-(Bromomethyl)phenoxyacetic acid is 243.97 g/mol.
Where can I buy 4-(Bromomethyl)phenoxyacetic acid?
You can request a quote for 4-(Bromomethyl)phenoxyacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Bromomethyl)phenoxyacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bromomethyl)phenoxyacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.