Methyl 3-acetamido-4-nitrothiophene-2-carboxylate
TL;DR: Methyl 3-acetamido-4-nitrothiophene-2-carboxylate (CAS 80615-53-8) is a chemical compound with molecular formula C8H8N2O5S and molecular weight 244.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetamido-4-nitrothiophene-2-carboxylate
Also Known As: methyl 3-acetamido-4-nitrothiophene-2-carboxylate, METHYL 3-(ACETYLAMINO)-4-NITROTHIOPHENE-2-CARBOXYLATE, 2-Thiophenecarboxylicacid, 3-(acetylamino)-4-nitro-, methyl ester, 2-carbomethoxy-3-acetamido-4-nitro-thiophene, J1.835.080G
| Molecular Formula | C8H8N2O5S |
|---|---|
| Molecular Weight | 244.02 g/mol |
| LogP | 1.4013 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0154 |
| Heavy Atoms | 16 |
| Complexity | 453.2812 |
Chemical Identifiers
| CAS Number | 80615-53-8 |
|---|---|
| SMILES | CC(=O)NC1=C(SC=C1[N+](=O)[O-])C(=O)OC |
Product Overview
Methyl 3-acetamido-4-nitrothiophene-2-carboxylate (CAS 80615-53-8), with molecular formula C8H8N2O5S and molecular weight 244.02 g/mol. IUPAC: methyl 3-acetamido-4-nitrothiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-acetamido-4-nitrothiophene-2-carboxylate
Property Insights of Methyl 3-acetamido-4-nitrothiophene-2-carboxylate
The XLogP value of 1.4013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-acetamido-4-nitrothiophene-2-carboxylate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-acetamido-4-nitrothiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-acetamido-4-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-acetamido-4-nitrothiophene-2-carboxylate?
The CAS number of Methyl 3-acetamido-4-nitrothiophene-2-carboxylate is 80615-53-8.
What is the molecular formula of Methyl 3-acetamido-4-nitrothiophene-2-carboxylate?
The molecular formula of Methyl 3-acetamido-4-nitrothiophene-2-carboxylate is C8H8N2O5S.
What is the molecular weight of Methyl 3-acetamido-4-nitrothiophene-2-carboxylate?
The molecular weight of Methyl 3-acetamido-4-nitrothiophene-2-carboxylate is 244.02 g/mol.
Where can I buy Methyl 3-acetamido-4-nitrothiophene-2-carboxylate?
You can request a quote for Methyl 3-acetamido-4-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-acetamido-4-nitrothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-acetamido-4-nitrothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.