2-(4-Chloro-2-methylphenoxy)-2,2-difluoroacetic acid
TL;DR: 2-(4-Chloro-2-methylphenoxy)-2,2-difluoroacetic acid (CAS 400087-82-3) is a chemical compound with molecular formula C9H7ClF2O3 and molecular weight 236.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-methylphenoxy)-2,2-difluoroacetic acid
Also Known As: 2-(4-chloro-2-methylphenoxy)-2,2-difluoroacetic acid, 8G-375S, 2-(4-chloro-2-methyl-phenoxy)-2,2-difluoro-acetic Acid
| Molecular Formula | C9H7ClF2O3 |
|---|---|
| Molecular Weight | 236.01 g/mol |
| LogP | 2.70462 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.00517 |
| Heavy Atoms | 15 |
| Complexity | 392.94388 |
Chemical Identifiers
| CAS Number | 400087-82-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OC(C(=O)O)(F)F |
Product Overview
2-(4-Chloro-2-methylphenoxy)-2,2-difluoroacetic acid (CAS 400087-82-3), with molecular formula C9H7ClF2O3 and molecular weight 236.01 g/mol. IUPAC: 2-(4-chloro-2-methylphenoxy)-2,2-difluoroacetic acid.
Chemical Property Profile of 2-(4-Chloro-2-methylphenoxy)-2,2-difluoroacetic acid
Property Insights of 2-(4-Chloro-2-methylphenoxy)-2,2-difluoroacetic acid
The XLogP value of 2.70462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chloro-2-methylphenoxy)-2,2-difluoroacetic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 2-(4-Chloro-2-methylphenoxy)-2,2-difluoroacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chloro-2-methylphenoxy)-2,2-difluoroacetic 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 2-(4-Chloro-2-methylphenoxy)-2,2-difluoroacetic acid?
The CAS number of 2-(4-Chloro-2-methylphenoxy)-2,2-difluoroacetic acid is 400087-82-3.
What is the molecular formula of 2-(4-Chloro-2-methylphenoxy)-2,2-difluoroacetic acid?
The molecular formula of 2-(4-Chloro-2-methylphenoxy)-2,2-difluoroacetic acid is C9H7ClF2O3.
What is the molecular weight of 2-(4-Chloro-2-methylphenoxy)-2,2-difluoroacetic acid?
The molecular weight of 2-(4-Chloro-2-methylphenoxy)-2,2-difluoroacetic acid is 236.01 g/mol.
Where can I buy 2-(4-Chloro-2-methylphenoxy)-2,2-difluoroacetic acid?
You can request a quote for 2-(4-Chloro-2-methylphenoxy)-2,2-difluoroacetic 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-methylphenoxy)-2,2-difluoroacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloro-2-methylphenoxy)-2,2-difluoroacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.