![methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate structure](/static/products/4620/462098-45-9.webp)
methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate
TL;DR: methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate (CAS 462098-45-9) is a chemical compound with molecular formula C19H13N3O6S and molecular weight 411.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate
Also Known As: methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate, methyl 4-cyano-3-methyl-5-({[5-(2-nitrophenyl)furan-2-yl]carbonyl}amino)thiophene-2-carboxylate, methyl 4-cyano-3-methyl-5-(5-(2-nitrophenyl)furan-2-carboxamido)thiophene-2-carboxylate
| Molecular Formula | C19H13N3O6S |
|---|---|
| Molecular Weight | 411.05 g/mol |
| LogP | 4.1353 |
| Topological Polar Surface Area | 135.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.05252 |
| Heavy Atoms | 29 |
| Complexity | 1171.0657 |
Chemical Identifiers
| CAS Number | 462098-45-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC |
Product Overview
methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate (CAS 462098-45-9), with molecular formula C19H13N3O6S and molecular weight 411.05 g/mol. IUPAC: methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate
Property Insights of methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate
The XLogP value of 4.1353 indicates that methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.47 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 8 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-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate?
The CAS number of methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate is 462098-45-9.
What is the molecular formula of methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate?
The molecular formula of methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate is C19H13N3O6S.
What is the molecular weight of methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate?
The molecular weight of methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate is 411.05 g/mol.
Where can I buy methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate?
You can request a quote for methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]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-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-cyano-3-methyl-5-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.