2,5-Difluorophenylacetic acid
TL;DR: 2,5-Difluorophenylacetic acid (CAS 1107620-72-3) is a chemical compound with molecular formula C8H6F2O2 and molecular weight 172.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-difluorophenyl)acetic acid
Also Known As: 2,5-Difluorophenylacetic acid, 2-(2,5-difluorophenyl)acetic acid, (2,5-difluorophenyl)acetic acid, 2,5-Difluorophenylaceticacid, Sitagliptin Impurity 78
| Molecular Formula | C8H6F2O2 |
|---|---|
| Molecular Weight | 172.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.03358 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 1107620-72-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)CC(=O)O)F |
| InChIKey | FKCRTRYQHZHXES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Difluorophenylacetic acid (CAS 1107620-72-3), with molecular formula C8H6F2O2 and molecular weight 172.03 g/mol. IUPAC: 2-(2,5-difluorophenyl)acetic acid.
Chemical Property Profile of 2,5-Difluorophenylacetic acid
Property Insights of 2,5-Difluorophenylacetic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Difluorophenylacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,5-Difluorophenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Difluorophenylacetic acid has 1 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 2,5-Difluorophenylacetic acid?
The CAS number of 2,5-Difluorophenylacetic acid is 1107620-72-3.
What is the molecular formula of 2,5-Difluorophenylacetic acid?
The molecular formula of 2,5-Difluorophenylacetic acid is C8H6F2O2.
What is the molecular weight of 2,5-Difluorophenylacetic acid?
The molecular weight of 2,5-Difluorophenylacetic acid is 172.03 g/mol.
Where can I buy 2,5-Difluorophenylacetic acid?
You can request a quote for 2,5-Difluorophenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Difluorophenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Difluorophenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.