![N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide structure](/static/products/5855/58554-13-5.webp)
N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide
TL;DR: N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide (CAS 58554-13-5) is a chemical compound with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylbenzenecarbothioyl)carbamoyl]benzamide
Also Known As: N-[(4-methylbenzenecarbothioyl)carbamoyl]benzamide, N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide, Benzamide, N-[[[(4-methylphenyl)thioxomethyl]amino]carbonyl]-, 4H-Pyrido[1,2-a]pyrimidin-4-one,6,7,8,9-tetrahydro-9-methyl-2-phenyl
| Molecular Formula | C16H14N2O2S |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 2.81012 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.0776 |
| Heavy Atoms | 21 |
| Complexity | 666.43616 |
Chemical Identifiers
| CAS Number | 58554-13-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=S)NC(=O)NC(=O)C2=CC=CC=C2 |
Product Overview
N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide (CAS 58554-13-5), with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol. IUPAC: N-[(4-methylbenzenecarbothioyl)carbamoyl]benzamide.
Chemical Property Profile of N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide
Property Insights of N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide
The XLogP value of 2.81012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide. With a topological polar surface area (TPSA) of 58.2 Ų, N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide has 2 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-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide?
The CAS number of N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide is 58554-13-5.
What is the molecular formula of N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide?
The molecular formula of N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide is C16H14N2O2S.
What is the molecular weight of N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide?
The molecular weight of N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide is 298.08 g/mol.
Where can I buy N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide?
You can request a quote for N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-Methylbenzene-1-carbothioyl)carbamoyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.