Benzoic acid, 3-amino-5-nitro-, ethyl ester
TL;DR: Benzoic acid, 3-amino-5-nitro-, ethyl ester (CAS 10394-67-9) is a chemical compound with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-5-nitrobenzoate
Also Known As: ethyl 3-amino-5-nitrobenzoate, 5-Ethoxycarbonyl-3-nitroaniline, 3-Amino-5-nitro-benzoic acid ethyl ester, ethyl3-amino-5-nitrobenzoate, ethyl 3-amino-5-nitro-benzoate
| Molecular Formula | C9H10N2O4 |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | 1.3537 |
| Topological Polar Surface Area | 95.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.06406 |
| Heavy Atoms | 15 |
| Complexity | 403.09885 |
Chemical Identifiers
| CAS Number | 10394-67-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])N |
Product Overview
Benzoic acid, 3-amino-5-nitro-, ethyl ester (CAS 10394-67-9), with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol. IUPAC: ethyl 3-amino-5-nitrobenzoate.
Chemical Property Profile of Benzoic acid, 3-amino-5-nitro-, ethyl ester
Property Insights of Benzoic acid, 3-amino-5-nitro-, ethyl ester
The XLogP value of 1.3537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-amino-5-nitro-, ethyl ester. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-amino-5-nitro-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3-amino-5-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, 3-amino-5-nitro-, ethyl ester?
The CAS number of Benzoic acid, 3-amino-5-nitro-, ethyl ester is 10394-67-9.
What is the molecular formula of Benzoic acid, 3-amino-5-nitro-, ethyl ester?
The molecular formula of Benzoic acid, 3-amino-5-nitro-, ethyl ester is C9H10N2O4.
What is the molecular weight of Benzoic acid, 3-amino-5-nitro-, ethyl ester?
The molecular weight of Benzoic acid, 3-amino-5-nitro-, ethyl ester is 210.06 g/mol.
Where can I buy Benzoic acid, 3-amino-5-nitro-, ethyl ester?
You can request a quote for Benzoic acid, 3-amino-5-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, 3-amino-5-nitro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-amino-5-nitro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.