3-Thiophenecarboxylic acid, 2-amino-5-nitro-, ethyl ester
TL;DR: 3-Thiophenecarboxylic acid, 2-amino-5-nitro-, ethyl ester (CAS 42783-04-0) is a chemical compound with molecular formula C7H8N2O4S and molecular weight 216.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-5-nitrothiophene-3-carboxylate
Also Known As: 2-Amino-3-ethoxycarbonyl-5-nitrothiophene, ethyl 2-amino-5-nitrothiophene-3-carboxylate, 2-Amino-5-nitro-thiophene-3-carboxylic acid ethyl ester, 2-amino-3-carbethoxy-5-nitrothiophene;, 2-Amino-3-carboethoxy-5-nitrothiophene;
| Molecular Formula | C7H8N2O4S |
|---|---|
| Molecular Weight | 216.02 g/mol |
| LogP | 1.4152 |
| Topological Polar Surface Area | 95.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.02048 |
| Heavy Atoms | 14 |
| Complexity | 373.76675 |
Chemical Identifiers
| CAS Number | 42783-04-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])N |
Product Overview
3-Thiophenecarboxylic acid, 2-amino-5-nitro-, ethyl ester (CAS 42783-04-0), with molecular formula C7H8N2O4S and molecular weight 216.02 g/mol. IUPAC: ethyl 2-amino-5-nitrothiophene-3-carboxylate.
Chemical Property Profile of 3-Thiophenecarboxylic acid, 2-amino-5-nitro-, ethyl ester
Property Insights of 3-Thiophenecarboxylic acid, 2-amino-5-nitro-, ethyl ester
The XLogP value of 1.4152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiophenecarboxylic acid, 2-amino-5-nitro-, ethyl ester. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Thiophenecarboxylic acid, 2-amino-5-nitro-, ethyl ester. Following Lipinski's Rule of Five, 3-Thiophenecarboxylic acid, 2-amino-5-nitro-, ethyl ester has 1 hydrogen bond donor(s) and 6 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 3-Thiophenecarboxylic acid, 2-amino-5-nitro-, ethyl ester?
The CAS number of 3-Thiophenecarboxylic acid, 2-amino-5-nitro-, ethyl ester is 42783-04-0.
What is the molecular formula of 3-Thiophenecarboxylic acid, 2-amino-5-nitro-, ethyl ester?
The molecular formula of 3-Thiophenecarboxylic acid, 2-amino-5-nitro-, ethyl ester is C7H8N2O4S.
What is the molecular weight of 3-Thiophenecarboxylic acid, 2-amino-5-nitro-, ethyl ester?
The molecular weight of 3-Thiophenecarboxylic acid, 2-amino-5-nitro-, ethyl ester is 216.02 g/mol.
Where can I buy 3-Thiophenecarboxylic acid, 2-amino-5-nitro-, ethyl ester?
You can request a quote for 3-Thiophenecarboxylic acid, 2-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 3-Thiophenecarboxylic acid, 2-amino-5-nitro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiophenecarboxylic acid, 2-amino-5-nitro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.