![4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide structure](/static/products/4450/445008-94-6.webp)
4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide
TL;DR: 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide (CAS 445008-94-6) is a chemical compound with molecular formula C16H13N5O6S and molecular weight 403.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide
Also Known As: 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide, 5-({3,5-bisnitrobenzoyl}amino)-4-cyano-N,N,3-trimethylthiophene-2-carboxamide, 4-cyano-5-{[(3,5-dinitrophenyl)carbonyl]amino}-N,N,3-trimethylthiophene-2-carboxamide, {5-[(3,5-dinitrophenyl)carbonylamino]-4-cyano-3-methyl(2-thienyl)}-N,N-dimethy lcarboxamide
| Molecular Formula | C16H13N5O6S |
|---|---|
| Molecular Weight | 403.06 g/mol |
| LogP | 2.6987 |
| Topological Polar Surface Area | 159.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.05865 |
| Heavy Atoms | 28 |
| Complexity | 1020.2748 |
Chemical Identifiers
| CAS Number | 445008-94-6 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C |
Product Overview
4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide (CAS 445008-94-6), with molecular formula C16H13N5O6S and molecular weight 403.06 g/mol. IUPAC: 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide.
Chemical Property Profile of 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide
Property Insights of 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide
The XLogP value of 2.6987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide. The TPSA of 159.48 Ų indicates high polarity, suggesting 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide 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 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide?
The CAS number of 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide is 445008-94-6.
What is the molecular formula of 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide?
The molecular formula of 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide is C16H13N5O6S.
What is the molecular weight of 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide?
The molecular weight of 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide is 403.06 g/mol.
Where can I buy 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide?
You can request a quote for 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-N,N,3-trimethylthiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.