2-Fluoro-4,5-dimethoxybenzeneacetic acid
TL;DR: 2-Fluoro-4,5-dimethoxybenzeneacetic acid (CAS 91407-50-0) is a chemical compound with molecular formula C10H11FO4 and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-fluoro-4,5-dimethoxyphenyl)acetic acid
Also Known As: 2-Fluoro-4,5-dimethoxybenzeneacetic acid, Benzeneacetic acid, 2-fluoro-4,5-dimethoxy-, 4,5-Dimethoxy-2-fluorophenylacetic acid, (2-Fluoro-4,5-dimethoxyphenyl)acetic acid, (2-Fluoro-4,5-dimethoxyphenyl)acetic acid #
| Molecular Formula | C10H11FO4 |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.06413 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 91407-50-0 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CC(=O)O)F)OC |
| InChIKey | DRFAHNMEKVZBPT-UHFFFAOYSA-N |
Product Overview
2-Fluoro-4,5-dimethoxybenzeneacetic acid (CAS 91407-50-0), with molecular formula C10H11FO4 and molecular weight 214.06 g/mol. IUPAC: 2-(2-fluoro-4,5-dimethoxyphenyl)acetic acid.
Chemical Property Profile of 2-Fluoro-4,5-dimethoxybenzeneacetic acid
Property Insights of 2-Fluoro-4,5-dimethoxybenzeneacetic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-4,5-dimethoxybenzeneacetic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 2-Fluoro-4,5-dimethoxybenzeneacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-4,5-dimethoxybenzeneacetic acid has 1 hydrogen bond donor(s) and 5 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-Fluoro-4,5-dimethoxybenzeneacetic acid?
The CAS number of 2-Fluoro-4,5-dimethoxybenzeneacetic acid is 91407-50-0.
What is the molecular formula of 2-Fluoro-4,5-dimethoxybenzeneacetic acid?
The molecular formula of 2-Fluoro-4,5-dimethoxybenzeneacetic acid is C10H11FO4.
What is the molecular weight of 2-Fluoro-4,5-dimethoxybenzeneacetic acid?
The molecular weight of 2-Fluoro-4,5-dimethoxybenzeneacetic acid is 214.06 g/mol.
Where can I buy 2-Fluoro-4,5-dimethoxybenzeneacetic acid?
You can request a quote for 2-Fluoro-4,5-dimethoxybenzeneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-4,5-dimethoxybenzeneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-4,5-dimethoxybenzeneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.