5-Amino-3-fluorobenzoic acid ethyl ester
TL;DR: 5-Amino-3-fluorobenzoic acid ethyl ester (CAS 884497-46-5) is a chemical compound with molecular formula C9H10FNO2 and molecular weight 183.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-5-fluorobenzoate
Also Known As: ethyl 3-amino-5-fluorobenzoate, 5-amino-3-fluorobenzoic acid ethyl ester, Ethyl 5-Amino-3-fluorobenzoate, ethyl3-amino-5-fluorobenzoate, Ethyl 3-fluoro-5-aminobenzoate
| Molecular Formula | C9H10FNO2 |
|---|---|
| Molecular Weight | 183.07 g/mol |
| LogP | 1.5846 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.06955 |
| Heavy Atoms | 13 |
| Complexity | 305.14078 |
Chemical Identifiers
| CAS Number | 884497-46-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC(=C1)F)N |
Product Overview
5-Amino-3-fluorobenzoic acid ethyl ester (CAS 884497-46-5), with molecular formula C9H10FNO2 and molecular weight 183.07 g/mol. IUPAC: ethyl 3-amino-5-fluorobenzoate.
Chemical Property Profile of 5-Amino-3-fluorobenzoic acid ethyl ester
Property Insights of 5-Amino-3-fluorobenzoic acid ethyl ester
The XLogP value of 1.5846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-3-fluorobenzoic acid ethyl ester. With a topological polar surface area (TPSA) of 52.32 Ų, 5-Amino-3-fluorobenzoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-3-fluorobenzoic acid ethyl ester 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 5-Amino-3-fluorobenzoic acid ethyl ester?
The CAS number of 5-Amino-3-fluorobenzoic acid ethyl ester is 884497-46-5.
What is the molecular formula of 5-Amino-3-fluorobenzoic acid ethyl ester?
The molecular formula of 5-Amino-3-fluorobenzoic acid ethyl ester is C9H10FNO2.
What is the molecular weight of 5-Amino-3-fluorobenzoic acid ethyl ester?
The molecular weight of 5-Amino-3-fluorobenzoic acid ethyl ester is 183.07 g/mol.
Where can I buy 5-Amino-3-fluorobenzoic acid ethyl ester?
You can request a quote for 5-Amino-3-fluorobenzoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-3-fluorobenzoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-3-fluorobenzoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.