![4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide structure](/static/products/6429/642954-15-2.webp)
4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide
TL;DR: 4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide (CAS 642954-15-2) is a chemical compound with molecular formula C15H10ClN3OS and molecular weight 315.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide
Also Known As: 4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide, N-(4-chlorobenzoyl)-N'-(2-cyanophenyl)thiourea, AN-329/40194160, 4-chloro-N-{[(2-cyanophenyl)amino]carbonothioyl}benzamide
| Molecular Formula | C15H10ClN3OS |
|---|---|
| Molecular Weight | 315.02 g/mol |
| LogP | 3.33848 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.02332 |
| Heavy Atoms | 21 |
| Complexity | 722.4437 |
Chemical Identifiers
| CAS Number | 642954-15-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=S)NC(=O)C2=CC=C(C=C2)Cl |
Product Overview
4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide (CAS 642954-15-2), with molecular formula C15H10ClN3OS and molecular weight 315.02 g/mol. IUPAC: 4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide
Property Insights of 4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide
The XLogP value of 3.33848 indicates that 4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-chloro-N-[(2-cyanophenyl)carbamothioyl]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 4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide?
The CAS number of 4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide is 642954-15-2.
What is the molecular formula of 4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide?
The molecular formula of 4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide is C15H10ClN3OS.
What is the molecular weight of 4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide?
The molecular weight of 4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide is 315.02 g/mol.
Where can I buy 4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide?
You can request a quote for 4-chloro-N-[(2-cyanophenyl)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-[(2-cyanophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[(2-cyanophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.