N-(Ethanethioylcarbamoyl)-4-methyl-benzamide
TL;DR: N-(Ethanethioylcarbamoyl)-4-methyl-benzamide (CAS 58554-20-4) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(ethanethioylcarbamoyl)-4-methylbenzamide
Also Known As: N-(ethanethioylcarbamoyl)-4-methylbenzamide, N-(ETHANETHIOYLCARBAMOYL)-4-METHYL-BENZAMIDE, 4H-1-Benzopyran-4-one,3-(3-chlorophenyl)-7-hydroxy-5-methoxy, RefChem:362715
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 1.78172 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 426.11563 |
Chemical Identifiers
| CAS Number | 58554-20-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=O)NC(=S)C |
Product Overview
N-(Ethanethioylcarbamoyl)-4-methyl-benzamide (CAS 58554-20-4), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: N-(ethanethioylcarbamoyl)-4-methylbenzamide.
Chemical Property Profile of N-(Ethanethioylcarbamoyl)-4-methyl-benzamide
Property Insights of N-(Ethanethioylcarbamoyl)-4-methyl-benzamide
The XLogP value of 1.78172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Ethanethioylcarbamoyl)-4-methyl-benzamide. With a topological polar surface area (TPSA) of 58.2 Ų, N-(Ethanethioylcarbamoyl)-4-methyl-benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Ethanethioylcarbamoyl)-4-methyl-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-(Ethanethioylcarbamoyl)-4-methyl-benzamide?
The CAS number of N-(Ethanethioylcarbamoyl)-4-methyl-benzamide is 58554-20-4.
What is the molecular formula of N-(Ethanethioylcarbamoyl)-4-methyl-benzamide?
The molecular formula of N-(Ethanethioylcarbamoyl)-4-methyl-benzamide is C11H12N2O2S.
What is the molecular weight of N-(Ethanethioylcarbamoyl)-4-methyl-benzamide?
The molecular weight of N-(Ethanethioylcarbamoyl)-4-methyl-benzamide is 236.06 g/mol.
Where can I buy N-(Ethanethioylcarbamoyl)-4-methyl-benzamide?
You can request a quote for N-(Ethanethioylcarbamoyl)-4-methyl-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Ethanethioylcarbamoyl)-4-methyl-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(Ethanethioylcarbamoyl)-4-methyl-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.