N-(cyclohexylcarbamothioyl)-2-nitrobenzamide
TL;DR: N-(cyclohexylcarbamothioyl)-2-nitrobenzamide (CAS 642949-95-9) is a chemical compound with molecular formula C14H17N3O3S and molecular weight 307.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyclohexylcarbamothioyl)-2-nitrobenzamide
Also Known As: N-(cyclohexylcarbamothioyl)-2-nitrobenzamide, N-[(cyclohexylamino)carbonothioyl]-2-nitrobenzamide
| Molecular Formula | C14H17N3O3S |
|---|---|
| Molecular Weight | 307.10 g/mol |
| LogP | 2.5318 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.09906 |
| Heavy Atoms | 21 |
| Complexity | 556.15015 |
Chemical Identifiers
| CAS Number | 642949-95-9 |
|---|---|
| SMILES | C1CCC(CC1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
N-(cyclohexylcarbamothioyl)-2-nitrobenzamide (CAS 642949-95-9), with molecular formula C14H17N3O3S and molecular weight 307.10 g/mol. IUPAC: N-(cyclohexylcarbamothioyl)-2-nitrobenzamide.
Chemical Property Profile of N-(cyclohexylcarbamothioyl)-2-nitrobenzamide
Property Insights of N-(cyclohexylcarbamothioyl)-2-nitrobenzamide
The XLogP value of 2.5318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(cyclohexylcarbamothioyl)-2-nitrobenzamide. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(cyclohexylcarbamothioyl)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(cyclohexylcarbamothioyl)-2-nitrobenzamide 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-(cyclohexylcarbamothioyl)-2-nitrobenzamide?
The CAS number of N-(cyclohexylcarbamothioyl)-2-nitrobenzamide is 642949-95-9.
What is the molecular formula of N-(cyclohexylcarbamothioyl)-2-nitrobenzamide?
The molecular formula of N-(cyclohexylcarbamothioyl)-2-nitrobenzamide is C14H17N3O3S.
What is the molecular weight of N-(cyclohexylcarbamothioyl)-2-nitrobenzamide?
The molecular weight of N-(cyclohexylcarbamothioyl)-2-nitrobenzamide is 307.10 g/mol.
Where can I buy N-(cyclohexylcarbamothioyl)-2-nitrobenzamide?
You can request a quote for N-(cyclohexylcarbamothioyl)-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-(cyclohexylcarbamothioyl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(cyclohexylcarbamothioyl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.