![N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide structure](/static/products/4285/428501-40-0.webp)
N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide
TL;DR: N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide (CAS 428501-40-0) is a chemical compound with molecular formula C22H17N5O3S and molecular weight 431.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide
Also Known As: AB00109056-01, N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide, N-{[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl}-2-nitrobenzamide, N-[[5-(1H-benzoimidazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-nitro-benzamide
| Molecular Formula | C22H17N5O3S |
|---|---|
| Molecular Weight | 431.11 g/mol |
| LogP | 4.57332 |
| Topological Polar Surface Area | 112.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.10522 |
| Heavy Atoms | 31 |
| Complexity | 1298.7379 |
Chemical Identifiers
| CAS Number | 428501-40-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-] |
Product Overview
N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide (CAS 428501-40-0), with molecular formula C22H17N5O3S and molecular weight 431.11 g/mol. IUPAC: N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide.
Chemical Property Profile of N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide
Property Insights of N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide
The XLogP value of 4.57332 indicates that N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide. Following Lipinski's Rule of Five, N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide has 3 hydrogen bond donor(s) and 5 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 N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide?
The CAS number of N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide is 428501-40-0.
What is the molecular formula of N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide?
The molecular formula of N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide is C22H17N5O3S.
What is the molecular weight of N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide?
The molecular weight of N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide is 431.11 g/mol.
Where can I buy N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide?
You can request a quote for N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.