N-(benzamidocarbamothioyl)-2-nitrobenzamide
TL;DR: N-(benzamidocarbamothioyl)-2-nitrobenzamide (CAS 333445-07-1) is a chemical compound with molecular formula C15H12N4O4S and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzamidocarbamothioyl)-2-nitrobenzamide
Also Known As: N-(benzamidocarbamothioyl)-2-nitrobenzamide, BAS 02136448, N-[(2-benzoylhydrazino)carbothioyl]-2-nitrobenzamide, N-(N'-Benzoyl-hydrazinocarbothioyl)-2-nitro-benzamide, (2-nitrophenyl)-N-{[(phenylcarbonylamino)amino]thioxomethyl}carboxamide
| Molecular Formula | C15H12N4O4S |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | 1.5441 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.05792 |
| Heavy Atoms | 24 |
| Complexity | 795.07086 |
Chemical Identifiers
| CAS Number | 333445-07-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
N-(benzamidocarbamothioyl)-2-nitrobenzamide (CAS 333445-07-1), with molecular formula C15H12N4O4S and molecular weight 344.06 g/mol. IUPAC: N-(benzamidocarbamothioyl)-2-nitrobenzamide.
Chemical Property Profile of N-(benzamidocarbamothioyl)-2-nitrobenzamide
Property Insights of N-(benzamidocarbamothioyl)-2-nitrobenzamide
The XLogP value of 1.5441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(benzamidocarbamothioyl)-2-nitrobenzamide. The TPSA of 113.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(benzamidocarbamothioyl)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(benzamidocarbamothioyl)-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-(benzamidocarbamothioyl)-2-nitrobenzamide?
The CAS number of N-(benzamidocarbamothioyl)-2-nitrobenzamide is 333445-07-1.
What is the molecular formula of N-(benzamidocarbamothioyl)-2-nitrobenzamide?
The molecular formula of N-(benzamidocarbamothioyl)-2-nitrobenzamide is C15H12N4O4S.
What is the molecular weight of N-(benzamidocarbamothioyl)-2-nitrobenzamide?
The molecular weight of N-(benzamidocarbamothioyl)-2-nitrobenzamide is 344.06 g/mol.
Where can I buy N-(benzamidocarbamothioyl)-2-nitrobenzamide?
You can request a quote for N-(benzamidocarbamothioyl)-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-(benzamidocarbamothioyl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(benzamidocarbamothioyl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.