2-(4-Chloro-2,5-difluorophenoxy)acetic acid
TL;DR: 2-(4-Chloro-2,5-difluorophenoxy)acetic acid (CAS 7590-49-0) is a chemical compound with molecular formula C8H5ClF2O3 and molecular weight 221.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2,5-difluorophenoxy)acetic acid
Also Known As: 2-(4-chloro-2,5-difluorophenoxy)acetic acid, (4-chloro-2,5-difluorophenoxy)acetic acid
| Molecular Formula | C8H5ClF2O3 |
|---|---|
| Molecular Weight | 221.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.98953 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 7590-49-0 |
|---|---|
| SMILES | C1=C(C(=CC(=C1F)Cl)F)OCC(=O)O |
| InChIKey | ATNYWIKWLRMZEX-UHFFFAOYSA-N |
Product Overview
2-(4-Chloro-2,5-difluorophenoxy)acetic acid (CAS 7590-49-0), with molecular formula C8H5ClF2O3 and molecular weight 221.99 g/mol. IUPAC: 2-(4-chloro-2,5-difluorophenoxy)acetic acid.
Chemical Property Profile of 2-(4-Chloro-2,5-difluorophenoxy)acetic acid
Property Insights of 2-(4-Chloro-2,5-difluorophenoxy)acetic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chloro-2,5-difluorophenoxy)acetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 2-(4-Chloro-2,5-difluorophenoxy)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chloro-2,5-difluorophenoxy)acetic 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-(4-Chloro-2,5-difluorophenoxy)acetic acid?
The CAS number of 2-(4-Chloro-2,5-difluorophenoxy)acetic acid is 7590-49-0.
What is the molecular formula of 2-(4-Chloro-2,5-difluorophenoxy)acetic acid?
The molecular formula of 2-(4-Chloro-2,5-difluorophenoxy)acetic acid is C8H5ClF2O3.
What is the molecular weight of 2-(4-Chloro-2,5-difluorophenoxy)acetic acid?
The molecular weight of 2-(4-Chloro-2,5-difluorophenoxy)acetic acid is 221.99 g/mol.
Where can I buy 2-(4-Chloro-2,5-difluorophenoxy)acetic acid?
You can request a quote for 2-(4-Chloro-2,5-difluorophenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chloro-2,5-difluorophenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloro-2,5-difluorophenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.