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N-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide
TL;DR: N-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide (CAS 445420-25-7) is a chemical compound with molecular formula C17H15ClN2O2S and molecular weight 346.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide
Also Known As: N-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide, AN-465/41168947, N-(3-acetylphenyl)-N'-(2-chloro-4-methylbenzoyl)thiourea, N-{[(3-acetylphenyl)amino]carbonothioyl}-2-chloro-4-methylbenzamide, N-[(3-acetylphenyl)thiocarbamoyl]-2-chloro-4-methyl-benzamide
| Molecular Formula | C17H15ClN2O2S |
|---|---|
| Molecular Weight | 346.05 g/mol |
| LogP | 3.97782 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.0543 |
| Heavy Atoms | 23 |
| Complexity | 789.9129 |
Chemical Identifiers
| CAS Number | 445420-25-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)C)Cl |
Product Overview
N-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide (CAS 445420-25-7), with molecular formula C17H15ClN2O2S and molecular weight 346.05 g/mol. IUPAC: N-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide.
Chemical Property Profile of N-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide
Property Insights of N-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide
The XLogP value of 3.97782 indicates that N-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, N-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(3-acetylphenyl)carbamothioyl]-2-chloro-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-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide?
The CAS number of N-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide is 445420-25-7.
What is the molecular formula of N-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide?
The molecular formula of N-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide is C17H15ClN2O2S.
What is the molecular weight of N-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide?
The molecular weight of N-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide is 346.05 g/mol.
Where can I buy N-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide?
You can request a quote for N-[(3-acetylphenyl)carbamothioyl]-2-chloro-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-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-acetylphenyl)carbamothioyl]-2-chloro-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.