![4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide structure](/static/products/111/111752-81-9.png)
4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide
TL;DR: 4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide (CAS 111752-81-9) is a chemical compound with molecular formula C15H13ClN2OS and molecular weight 304.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide
Also Known As: N'-(4-chlorobenzoyl)-N-methyl-N-phenylthiourea, 4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide, N-methylphenyl-N'-(4-chlorobenzoyl)thiourea, J3.505.300J, 3-(4-chlorobenzoyl)-1-methyl-1-phenylthiourea
| Molecular Formula | C15H13ClN2OS |
|---|---|
| Molecular Weight | 304.04 g/mol |
| LogP | 3.4911 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.0437 |
| Heavy Atoms | 20 |
| Complexity | 613.53046 |
Chemical Identifiers
| CAS Number | 111752-81-9 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=S)NC(=O)C2=CC=C(C=C2)Cl |
Product Overview
4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide (CAS 111752-81-9), with molecular formula C15H13ClN2OS and molecular weight 304.04 g/mol. IUPAC: 4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide.
Chemical Property Profile of 4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide
Property Insights of 4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide
The XLogP value of 3.4911 indicates that 4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide has 1 hydrogen bond donor(s) and 2 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 4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide?
The CAS number of 4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide is 111752-81-9.
What is the molecular formula of 4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide?
The molecular formula of 4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide is C15H13ClN2OS.
What is the molecular weight of 4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide?
The molecular weight of 4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide is 304.04 g/mol.
Where can I buy 4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide?
You can request a quote for 4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[methyl(phenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.