Methyl 4-amino-2,3-difluorobenzoate
TL;DR: Methyl 4-amino-2,3-difluorobenzoate (CAS 886497-08-1) is a chemical compound with molecular formula C8H7F2NO2 and molecular weight 187.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-2,3-difluorobenzoate
Also Known As: methyl 4-amino-2,3-difluorobenzoate, ETOMOXIR, 2-amino-3,4-difluorobenzoate methyl, 4-amino-2,3-difluoro-benzoic acid methyl ester, methyl 4-amino-2,3-difluoro-benzoate
| Molecular Formula | C8H7F2NO2 |
|---|---|
| Molecular Weight | 187.04 g/mol |
| LogP | 1.3336 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.04448 |
| Heavy Atoms | 13 |
| Complexity | 352.24243 |
Chemical Identifiers
| CAS Number | 886497-08-1 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C(C=C1)N)F)F |
Product Overview
Methyl 4-amino-2,3-difluorobenzoate (CAS 886497-08-1), with molecular formula C8H7F2NO2 and molecular weight 187.04 g/mol. IUPAC: methyl 4-amino-2,3-difluorobenzoate.
Chemical Property Profile of Methyl 4-amino-2,3-difluorobenzoate
Property Insights of Methyl 4-amino-2,3-difluorobenzoate
The XLogP value of 1.3336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-2,3-difluorobenzoate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 4-amino-2,3-difluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-amino-2,3-difluorobenzoate has 1 hydrogen bond donor(s) and 3 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 Methyl 4-amino-2,3-difluorobenzoate?
The CAS number of Methyl 4-amino-2,3-difluorobenzoate is 886497-08-1.
What is the molecular formula of Methyl 4-amino-2,3-difluorobenzoate?
The molecular formula of Methyl 4-amino-2,3-difluorobenzoate is C8H7F2NO2.
What is the molecular weight of Methyl 4-amino-2,3-difluorobenzoate?
The molecular weight of Methyl 4-amino-2,3-difluorobenzoate is 187.04 g/mol.
Where can I buy Methyl 4-amino-2,3-difluorobenzoate?
You can request a quote for Methyl 4-amino-2,3-difluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-amino-2,3-difluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-amino-2,3-difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.