N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide
TL;DR: N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide (CAS 496769-50-7) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylphenyl)carbamoylcarbamothioyl]benzamide
Also Known As: N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide, N-[(4-methylphenyl)carbamoylcarbamothioyl]benzamide, AN-717/40650764
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 2.83142 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 684.29694 |
Chemical Identifiers
| CAS Number | 496769-50-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC(=S)NC(=O)C2=CC=CC=C2 |
Product Overview
N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide (CAS 496769-50-7), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: N-[(4-methylphenyl)carbamoylcarbamothioyl]benzamide.
Chemical Property Profile of N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide
Property Insights of N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide
The XLogP value of 2.83142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide. Following Lipinski's Rule of Five, N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide has 3 hydrogen bond donor(s) and 3 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-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide?
The CAS number of N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide is 496769-50-7.
What is the molecular formula of N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide?
The molecular formula of N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide is C16H15N3O2S.
What is the molecular weight of N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide?
The molecular weight of N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide is 313.09 g/mol.
Where can I buy N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide?
You can request a quote for N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzoyl-N'-(4-methylphenyl)dicarbonimidothioic diamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.