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N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide
TL;DR: N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide (CAS 428459-08-9) is a chemical compound with molecular formula C21H16ClN3O2S and molecular weight 409.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide
Also Known As: N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide, AM-879/40777397, N-[4-({[(2-chlorobenzoyl)amino]carbothioyl}amino)phenyl]benzamide
| Molecular Formula | C21H16ClN3O2S |
|---|---|
| Molecular Weight | 409.07 g/mol |
| LogP | 4.7191 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.0652 |
| Heavy Atoms | 28 |
| Complexity | 1007.674 |
Chemical Identifiers
| CAS Number | 428459-08-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Cl |
Product Overview
N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide (CAS 428459-08-9), with molecular formula C21H16ClN3O2S and molecular weight 409.07 g/mol. IUPAC: N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide.
Chemical Property Profile of N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide
Property Insights of N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide
The XLogP value of 4.7191 indicates that N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide. Following Lipinski's Rule of Five, N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide has 3 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-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide?
The CAS number of N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide is 428459-08-9.
What is the molecular formula of N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide?
The molecular formula of N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide is C21H16ClN3O2S.
What is the molecular weight of N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide?
The molecular weight of N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide is 409.07 g/mol.
Where can I buy N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide?
You can request a quote for N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-benzamidophenyl)carbamothioyl]-2-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.