![5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide structure](/static/products/4450/445013-81-0.webp)
5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
TL;DR: 5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide (CAS 445013-81-0) is a chemical compound with molecular formula C21H17ClN4O4S and molecular weight 456.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
Also Known As: 5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide, 5-chloro-N-[4-(N-{4-nitro-3-methylbenzoyl}ethanehydrazonoyl)phenyl]-2-thiophenecarboxamide, 5-chloro-N-{4-[(1E)-1-{2-[(3-methyl-4-nitrophenyl)carbonyl]hydrazinylidene}ethyl]phenyl}thiophene-2-carboxamide, N-((1E)-2-{4-[(5-chloro(2-thienyl))carbonylamino]phenyl}-1-azaprop-1-enyl)(3-m ethyl-4-nitrophenyl)carboxamide
| Molecular Formula | C21H17ClN4O4S |
|---|---|
| Molecular Weight | 456.07 g/mol |
| LogP | 5.02442 |
| Topological Polar Surface Area | 113.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.06592 |
| Heavy Atoms | 31 |
| Complexity | 1188.3453 |
Chemical Identifiers
| CAS Number | 445013-81-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)N/N=C(\C)/C2=CC=C(C=C2)NC(=O)C3=CC=C(S3)Cl)[N+](=O)[O-] |
Product Overview
5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide (CAS 445013-81-0), with molecular formula C21H17ClN4O4S and molecular weight 456.07 g/mol. IUPAC: 5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide.
Chemical Property Profile of 5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
Property Insights of 5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
The XLogP value of 5.02442 indicates that 5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide. Following Lipinski's Rule of Five, 5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide?
The CAS number of 5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide is 445013-81-0.
What is the molecular formula of 5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide?
The molecular formula of 5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide is C21H17ClN4O4S.
What is the molecular weight of 5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide?
The molecular weight of 5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide is 456.07 g/mol.
Where can I buy 5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide?
You can request a quote for 5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.