Methyl 4-cyano-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxylate
TL;DR: Methyl 4-cyano-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxylate (CAS 532963-69-2) is a chemical compound with molecular formula C16H13N3O5S and molecular weight 359.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-cyano-3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2-carboxylate
Also Known As: METHYL 4-CYANO-3-METHYL-5-(3-METHYL-4-NITROBENZAMIDO)THIOPHENE-2-CARBOXYLATE, methyl 4-cyano-3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2-carboxylate, methyl 4-cyano-3-methyl-5-{[(3-methyl-4-nitrophenyl)carbonyl]amino}thiophene-2-carboxylate
| Molecular Formula | C16H13N3O5S |
|---|---|
| Molecular Weight | 359.06 g/mol |
| LogP | 3.18372 |
| Topological Polar Surface Area | 122.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.0576 |
| Heavy Atoms | 25 |
| Complexity | 926.5819 |
Chemical Identifiers
| CAS Number | 532963-69-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2=C(C(=C(S2)C(=O)OC)C)C#N)[N+](=O)[O-] |
Product Overview
Methyl 4-cyano-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxylate (CAS 532963-69-2), with molecular formula C16H13N3O5S and molecular weight 359.06 g/mol. IUPAC: methyl 4-cyano-3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of Methyl 4-cyano-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxylate
Property Insights of Methyl 4-cyano-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxylate
The XLogP value of 3.18372 indicates that Methyl 4-cyano-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-cyano-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 4-cyano-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 7 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 4-cyano-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxylate?
The CAS number of Methyl 4-cyano-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxylate is 532963-69-2.
What is the molecular formula of Methyl 4-cyano-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxylate?
The molecular formula of Methyl 4-cyano-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxylate is C16H13N3O5S.
What is the molecular weight of Methyl 4-cyano-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxylate?
The molecular weight of Methyl 4-cyano-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxylate is 359.06 g/mol.
Where can I buy Methyl 4-cyano-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxylate?
You can request a quote for Methyl 4-cyano-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-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 4-cyano-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-cyano-3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.