Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester
TL;DR: Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester (CAS 150368-37-9) is a chemical compound with molecular formula C9H9FN2O4 and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-6-fluoro-3-nitrobenzoate
Also Known As: Ethyl 2-amino-6-fluoro-3-nitrobenzoate, 2-Amino-6-fluoro-3-nitrobenzoic acid ethyl ester, Intermediates-ZCF02149, Ethyl2-amino-6-fluoro-3-nitrobenzoate, ethyl 2-amino-6-fluoro-3-nitro-benzoate
| Molecular Formula | C9H9FN2O4 |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 1.4928 |
| Topological Polar Surface Area | 95.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.05464 |
| Heavy Atoms | 16 |
| Complexity | 447.38028 |
Chemical Identifiers
| CAS Number | 150368-37-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1N)[N+](=O)[O-])F |
Product Overview
Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester (CAS 150368-37-9), with molecular formula C9H9FN2O4 and molecular weight 228.05 g/mol. IUPAC: ethyl 2-amino-6-fluoro-3-nitrobenzoate.
Chemical Property Profile of Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester
Property Insights of Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester
The XLogP value of 1.4928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester has 1 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 Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester?
The CAS number of Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester is 150368-37-9.
What is the molecular formula of Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester?
The molecular formula of Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester is C9H9FN2O4.
What is the molecular weight of Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester?
The molecular weight of Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester is 228.05 g/mol.
Where can I buy Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester?
You can request a quote for Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.