Bromoacetic acid, 4-methoxyphenyl ester
TL;DR: Bromoacetic acid, 4-methoxyphenyl ester (CAS 60477-29-4) 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.
(4-methoxyphenyl) 2-bromoacetate
Also Known As: 4-Methoxyphenyl 2-bromoacetate, 4-methoxyphenyl bromoacetate, Bromoacetic acid, 4-methoxyphenyl ester, (4-Methoxyphenyl)-2-bromacetat, (4-methoxyphenyl) 2-bromoacetate
| Molecular Formula | C9H9BrO3 |
|---|---|
| Molecular Weight | 243.97 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.97351 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 60477-29-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC(=O)CBr |
| InChIKey | CWPDVNAECGVQQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromoacetic acid, 4-methoxyphenyl ester (CAS 60477-29-4), with molecular formula C9H9BrO3 and molecular weight 243.97 g/mol. IUPAC: (4-methoxyphenyl) 2-bromoacetate.
Chemical Property Profile of Bromoacetic acid, 4-methoxyphenyl ester
Property Insights of Bromoacetic acid, 4-methoxyphenyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromoacetic acid, 4-methoxyphenyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Bromoacetic acid, 4-methoxyphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromoacetic acid, 4-methoxyphenyl ester has 0 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 Bromoacetic acid, 4-methoxyphenyl ester?
The CAS number of Bromoacetic acid, 4-methoxyphenyl ester is 60477-29-4.
What is the molecular formula of Bromoacetic acid, 4-methoxyphenyl ester?
The molecular formula of Bromoacetic acid, 4-methoxyphenyl ester is C9H9BrO3.
What is the molecular weight of Bromoacetic acid, 4-methoxyphenyl ester?
The molecular weight of Bromoacetic acid, 4-methoxyphenyl ester is 243.97 g/mol.
Where can I buy Bromoacetic acid, 4-methoxyphenyl ester?
You can request a quote for Bromoacetic acid, 4-methoxyphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromoacetic acid, 4-methoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Bromoacetic acid, 4-methoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.