2-Amino-3-methoxycarbonyl-5-nitrothiophene
TL;DR: 2-Amino-3-methoxycarbonyl-5-nitrothiophene (CAS 43028-48-4) 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 2-amino-5-nitrothiophene-3-carboxylate
Also Known As: methyl 2-amino-5-nitrothiophene-3-carboxylate, 2-Amino-3-methoxycarbonyl-5-nitrothiophene, methyl2-amino-5-nitrothiophene-3-carboxylate, Methyl 2-amino-5-nitro-3-thiophenecarboxylate, Methyl 2-amino-5-nitro-thiophene-3-carboxylate
| 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 | 43028-48-4 |
|---|---|
| SMILES | COC(=O)C1=C(SC(=C1)[N+](=O)[O-])N |
Product Overview
2-Amino-3-methoxycarbonyl-5-nitrothiophene (CAS 43028-48-4), with molecular formula C6H6N2O4S and molecular weight 202.00 g/mol. IUPAC: methyl 2-amino-5-nitrothiophene-3-carboxylate.
Chemical Property Profile of 2-Amino-3-methoxycarbonyl-5-nitrothiophene
Property Insights of 2-Amino-3-methoxycarbonyl-5-nitrothiophene
The XLogP value of 1.0251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-methoxycarbonyl-5-nitrothiophene. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-methoxycarbonyl-5-nitrothiophene. Following Lipinski's Rule of Five, 2-Amino-3-methoxycarbonyl-5-nitrothiophene 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 2-Amino-3-methoxycarbonyl-5-nitrothiophene?
The CAS number of 2-Amino-3-methoxycarbonyl-5-nitrothiophene is 43028-48-4.
What is the molecular formula of 2-Amino-3-methoxycarbonyl-5-nitrothiophene?
The molecular formula of 2-Amino-3-methoxycarbonyl-5-nitrothiophene is C6H6N2O4S.
What is the molecular weight of 2-Amino-3-methoxycarbonyl-5-nitrothiophene?
The molecular weight of 2-Amino-3-methoxycarbonyl-5-nitrothiophene is 202.00 g/mol.
Where can I buy 2-Amino-3-methoxycarbonyl-5-nitrothiophene?
You can request a quote for 2-Amino-3-methoxycarbonyl-5-nitrothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-methoxycarbonyl-5-nitrothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-methoxycarbonyl-5-nitrothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.