![N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide structure](/static/products/4284/428491-08-1.webp)
N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
TL;DR: N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide (CAS 428491-08-1) is a chemical compound with molecular formula C15H13N3O3S and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
Also Known As: N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide, 1-benzoyl-3-(2-methyl-4-nitrophenyl)thiourea, N-benzoyl-N'-(2-methyl-4-nitrophenyl)thiourea, N-benzoyl-N'-{4-nitro-2-methylphenyl}thiourea, AN-648/40682082
| Molecular Formula | C15H13N3O3S |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 3.03002 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.06775 |
| Heavy Atoms | 22 |
| Complexity | 732.06744 |
Chemical Identifiers
| CAS Number | 428491-08-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CC=C2 |
Product Overview
N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide (CAS 428491-08-1), with molecular formula C15H13N3O3S and molecular weight 315.07 g/mol. IUPAC: N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
Property Insights of N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 3.03002 indicates that N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 4 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-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
The CAS number of N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is 428491-08-1.
What is the molecular formula of N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is C15H13N3O3S.
What is the molecular weight of N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is 315.07 g/mol.
Where can I buy N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.