N-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-4-methylbenzamide
TL;DR: N-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-4-methylbenzamide (CAS 131695-16-4) is a chemical compound with molecular formula C17H16Cl3N3OS and molecular weight 415.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2-dichloro-1-[(4-chlorophenyl)carbamothioylamino]ethyl]-4-methylbenzamide
Also Known As: N-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-4-methylbenzamide, N-(2,2-dichloro-1-{[(4-chloroanilino)carbothioyl]amino}ethyl)-4-methylbenzamide, N-[2,2-dichloro-1-[(4-chlorophenyl)carbamothioylamino]ethyl]-4-methylbenzamide, N-[2,2-dichloro-1-[(4-chlorophenyl)thiocarbamoylamino]ethyl]-4-methyl-benzamide, 656-959-6
| Molecular Formula | C17H16Cl3N3OS |
|---|---|
| Molecular Weight | 415.01 g/mol |
| LogP | 4.49462 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.00797 |
| Heavy Atoms | 25 |
| Complexity | 735.8082 |
Chemical Identifiers
| CAS Number | 131695-16-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(C(Cl)Cl)NC(=S)NC2=CC=C(C=C2)Cl |
Product Overview
N-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-4-methylbenzamide (CAS 131695-16-4), with molecular formula C17H16Cl3N3OS and molecular weight 415.01 g/mol. IUPAC: N-[2,2-dichloro-1-[(4-chlorophenyl)carbamothioylamino]ethyl]-4-methylbenzamide.
Chemical Property Profile of N-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-4-methylbenzamide
Property Insights of N-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-4-methylbenzamide
The XLogP value of 4.49462 indicates that N-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, N-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-4-methylbenzamide has 3 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 N-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-4-methylbenzamide?
The CAS number of N-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-4-methylbenzamide is 131695-16-4.
What is the molecular formula of N-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-4-methylbenzamide?
The molecular formula of N-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-4-methylbenzamide is C17H16Cl3N3OS.
What is the molecular weight of N-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-4-methylbenzamide?
The molecular weight of N-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-4-methylbenzamide is 415.01 g/mol.
Where can I buy N-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-4-methylbenzamide?
You can request a quote for N-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-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-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2-Dichloro-1-(((4-chloroanilino)carbothioyl)amino)ethyl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.