4-Amino-3,5-difluorobenzoic acid
TL;DR: 4-Amino-3,5-difluorobenzoic acid (CAS 500577-99-1) is a chemical compound with molecular formula C7H5F2NO2 and molecular weight 173.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3,5-difluorobenzoic acid
Also Known As: 4-amino-3,5-difluorobenzoic acid, 4-Amino-3,5-difluorobenzoicacid, 4-Amino-3,5-difluoro-benzoic acid, 3,5-difluoro-4-aminobenzoic acid, Benzoic acid, 4-amino-3,5-difluoro-
| Molecular Formula | C7H5F2NO2 |
|---|---|
| Molecular Weight | 173.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.02884 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 500577-99-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1F)N)F)C(=O)O |
| InChIKey | MJHZRTJMDQYAHN-UHFFFAOYSA-N |
Product Overview
4-Amino-3,5-difluorobenzoic acid (CAS 500577-99-1), with molecular formula C7H5F2NO2 and molecular weight 173.03 g/mol. IUPAC: 4-amino-3,5-difluorobenzoic acid.
Chemical Property Profile of 4-Amino-3,5-difluorobenzoic acid
Property Insights of 4-Amino-3,5-difluorobenzoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3,5-difluorobenzoic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3,5-difluorobenzoic acid. Following Lipinski's Rule of Five, 4-Amino-3,5-difluorobenzoic acid has 2 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 4-Amino-3,5-difluorobenzoic acid?
The CAS number of 4-Amino-3,5-difluorobenzoic acid is 500577-99-1.
What is the molecular formula of 4-Amino-3,5-difluorobenzoic acid?
The molecular formula of 4-Amino-3,5-difluorobenzoic acid is C7H5F2NO2.
What is the molecular weight of 4-Amino-3,5-difluorobenzoic acid?
The molecular weight of 4-Amino-3,5-difluorobenzoic acid is 173.03 g/mol.
Where can I buy 4-Amino-3,5-difluorobenzoic acid?
You can request a quote for 4-Amino-3,5-difluorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3,5-difluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3,5-difluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.