Methyl 3-amino-5-nitrothiophene-2-carboxylate
TL;DR: Methyl 3-amino-5-nitrothiophene-2-carboxylate (CAS 113899-36-8) is a chemical compound with molecular formula C6H6N2O4S and molecular weight 202.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-5-nitrothiophene-2-carboxylate
Also Known As: methyl 3-amino-5-nitrothiophene-2-carboxylate, 2-Thiophenecarboxylic acid, 3-amino-5-nitro-, methyl ester, methyl3-amino-5-nitrothiophene-2-carboxylate, methyl 3-amino-5-nitro-2-thiophenecarboxylate, 2-Hydroxy-6-methyl-thiazol<4,5-f>benzimidazol
| Molecular Formula | C6H6N2O4S |
|---|---|
| Molecular Weight | 202.00 g/mol |
| LogP | 1.0251 |
| Topological Polar Surface Area | 95.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.00482 |
| Heavy Atoms | 13 |
| Complexity | 359.51627 |
Chemical Identifiers
| CAS Number | 113899-36-8 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(S1)[N+](=O)[O-])N |
Product Overview
Methyl 3-amino-5-nitrothiophene-2-carboxylate (CAS 113899-36-8), with molecular formula C6H6N2O4S and molecular weight 202.00 g/mol. IUPAC: methyl 3-amino-5-nitrothiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-amino-5-nitrothiophene-2-carboxylate
Property Insights of Methyl 3-amino-5-nitrothiophene-2-carboxylate
The XLogP value of 1.0251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-5-nitrothiophene-2-carboxylate. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-amino-5-nitrothiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-amino-5-nitrothiophene-2-carboxylate 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 Methyl 3-amino-5-nitrothiophene-2-carboxylate?
The CAS number of Methyl 3-amino-5-nitrothiophene-2-carboxylate is 113899-36-8.
What is the molecular formula of Methyl 3-amino-5-nitrothiophene-2-carboxylate?
The molecular formula of Methyl 3-amino-5-nitrothiophene-2-carboxylate is C6H6N2O4S.
What is the molecular weight of Methyl 3-amino-5-nitrothiophene-2-carboxylate?
The molecular weight of Methyl 3-amino-5-nitrothiophene-2-carboxylate is 202.00 g/mol.
Where can I buy Methyl 3-amino-5-nitrothiophene-2-carboxylate?
You can request a quote for Methyl 3-amino-5-nitrothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-amino-5-nitrothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-5-nitrothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.