Methyl 3-(3-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate
TL;DR: Methyl 3-(3-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate (CAS 392242-99-8) is a chemical compound with molecular formula C13H12N2O5S and molecular weight 308.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3-nitrobenzoyl)amino]-2,3-dihydrothiophene-5-carboxylate
Also Known As: methyl 3-(3-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate, AB00684176-01, F0326-0505, methyl 4-[(3-nitrobenzoyl)amino]-2,3-dihydrothiophene-5-carboxylate
| Molecular Formula | C13H12N2O5S |
|---|---|
| Molecular Weight | 308.05 g/mol |
| LogP | 1.8461 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.0467 |
| Heavy Atoms | 21 |
| Complexity | 641.20374 |
Chemical Identifiers
| CAS Number | 392242-99-8 |
|---|---|
| SMILES | COC(=O)C1=C(CCS1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Methyl 3-(3-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate (CAS 392242-99-8), with molecular formula C13H12N2O5S and molecular weight 308.05 g/mol. IUPAC: methyl 4-[(3-nitrobenzoyl)amino]-2,3-dihydrothiophene-5-carboxylate.
Chemical Property Profile of Methyl 3-(3-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate
Property Insights of Methyl 3-(3-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate
The XLogP value of 1.8461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(3-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(3-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-(3-nitrobenzamido)-4,5-dihydrothiophene-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-(3-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate?
The CAS number of Methyl 3-(3-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate is 392242-99-8.
What is the molecular formula of Methyl 3-(3-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate?
The molecular formula of Methyl 3-(3-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate is C13H12N2O5S.
What is the molecular weight of Methyl 3-(3-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate?
The molecular weight of Methyl 3-(3-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate is 308.05 g/mol.
Where can I buy Methyl 3-(3-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate?
You can request a quote for Methyl 3-(3-nitrobenzamido)-4,5-dihydrothiophene-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-(3-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.