![N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide structure](/static/products/4960/496029-72-2.webp)
N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide
TL;DR: N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide (CAS 496029-72-2) is a chemical compound with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide
Also Known As: N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide, N-{[benzyl(methyl)amino]carbonothioyl}-3-nitrobenzamide
| Molecular Formula | C16H15N3O3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 2.7415 |
| Topological Polar Surface Area | 75.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.0834 |
| Heavy Atoms | 23 |
| Complexity | 734.3601 |
Chemical Identifiers
| CAS Number | 496029-72-2 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide (CAS 496029-72-2), with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol. IUPAC: N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide.
Chemical Property Profile of N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide
Property Insights of N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide
The XLogP value of 2.7415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide. The TPSA of 75.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide has 1 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-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide?
The CAS number of N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide is 496029-72-2.
What is the molecular formula of N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide?
The molecular formula of N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide is C16H15N3O3S.
What is the molecular weight of N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide?
The molecular weight of N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide is 329.08 g/mol.
Where can I buy N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide?
You can request a quote for N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[benzyl(methyl)carbamothioyl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.