Methoxyacetic acid, 2-bromo-4-fluorophenyl ester
TL;DR: Methoxyacetic acid, 2-bromo-4-fluorophenyl ester (CAS 959256-97-4) is a chemical compound with molecular formula C9H8BrFO3 and molecular weight 261.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-4-fluorophenyl) 2-methoxyacetate
Also Known As: 2-Bromo-4-fluorophenyl 2-Methoxyacetate, 2-Bromo-4-fluorophenyl methoxyacetate #, (2-bromo-4-fluorophenyl) 2-methoxyacetate, Methoxyacetic acid, 2-bromo-4-fluorophenyl ester
| Molecular Formula | C9H8BrFO3 |
|---|---|
| Molecular Weight | 261.96 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.96408 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 959256-97-4 |
|---|---|
| SMILES | COCC(=O)OC1=C(C=C(C=C1)F)Br |
| InChIKey | VLFUVAKKAOOOSN-UHFFFAOYSA-N |
Product Overview
Methoxyacetic acid, 2-bromo-4-fluorophenyl ester (CAS 959256-97-4), with molecular formula C9H8BrFO3 and molecular weight 261.96 g/mol. IUPAC: (2-bromo-4-fluorophenyl) 2-methoxyacetate.
Chemical Property Profile of Methoxyacetic acid, 2-bromo-4-fluorophenyl ester
Property Insights of Methoxyacetic acid, 2-bromo-4-fluorophenyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methoxyacetic acid, 2-bromo-4-fluorophenyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Methoxyacetic acid, 2-bromo-4-fluorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methoxyacetic acid, 2-bromo-4-fluorophenyl 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 Methoxyacetic acid, 2-bromo-4-fluorophenyl ester?
The CAS number of Methoxyacetic acid, 2-bromo-4-fluorophenyl ester is 959256-97-4.
What is the molecular formula of Methoxyacetic acid, 2-bromo-4-fluorophenyl ester?
The molecular formula of Methoxyacetic acid, 2-bromo-4-fluorophenyl ester is C9H8BrFO3.
What is the molecular weight of Methoxyacetic acid, 2-bromo-4-fluorophenyl ester?
The molecular weight of Methoxyacetic acid, 2-bromo-4-fluorophenyl ester is 261.96 g/mol.
Where can I buy Methoxyacetic acid, 2-bromo-4-fluorophenyl ester?
You can request a quote for Methoxyacetic acid, 2-bromo-4-fluorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methoxyacetic acid, 2-bromo-4-fluorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Methoxyacetic acid, 2-bromo-4-fluorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.