N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide
TL;DR: N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide (CAS 58554-21-5) 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-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide
Also Known As: N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide, 4-methyl-N-((phenylcarbonothioyl)carbamoyl)benzamide, N-[(Benzenecarbothioyl)carbamoyl]-4-methylbenzamide
| 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 | 58554-21-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=O)NC(=S)C2=CC=CC=C2 |
Product Overview
N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide (CAS 58554-21-5), with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol. IUPAC: N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide.
Chemical Property Profile of N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide
Property Insights of N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide
The XLogP value of 2.81012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide. With a topological polar surface area (TPSA) of 58.2 Ų, N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide 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-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide?
The CAS number of N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide is 58554-21-5.
What is the molecular formula of N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide?
The molecular formula of N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide is C16H14N2O2S.
What is the molecular weight of N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide?
The molecular weight of N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide is 298.08 g/mol.
Where can I buy N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide?
You can request a quote for N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(benzenecarbonothioylcarbamoyl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.