N-(2,2-Dichloro-1-((4-toluidinocarbothioyl)amino)ethyl)benzamide
TL;DR: N-(2,2-Dichloro-1-((4-toluidinocarbothioyl)amino)ethyl)benzamide (CAS 131695-13-1) is a chemical compound with molecular formula C17H17Cl2N3OS and molecular weight 381.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2-dichloro-1-[(4-methylphenyl)carbamothioylamino]ethyl]benzamide
Also Known As: n-(2,2-dichloro-1-((4-toluidinocarbothioyl)amino)ethyl)benzamide, N-{2,2-dichloro-1-[(4-toluidinocarbothioyl)amino]ethyl}benzamide, N-[2,2-dichloro-1-[(4-methylphenyl)carbamothioylamino]ethyl]benzamide, N-[2,2-dichloro-1-[(4-methylphenyl)thiocarbamoylamino]ethyl]benzamide, 656-957-5
| Molecular Formula | C17H17Cl2N3OS |
|---|---|
| Molecular Weight | 381.05 g/mol |
| LogP | 3.84122 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.04694 |
| Heavy Atoms | 24 |
| Complexity | 692.74164 |
Chemical Identifiers
| CAS Number | 131695-13-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NC(C(Cl)Cl)NC(=O)C2=CC=CC=C2 |
Product Overview
N-(2,2-Dichloro-1-((4-toluidinocarbothioyl)amino)ethyl)benzamide (CAS 131695-13-1), with molecular formula C17H17Cl2N3OS and molecular weight 381.05 g/mol. IUPAC: N-[2,2-dichloro-1-[(4-methylphenyl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of N-(2,2-Dichloro-1-((4-toluidinocarbothioyl)amino)ethyl)benzamide
Property Insights of N-(2,2-Dichloro-1-((4-toluidinocarbothioyl)amino)ethyl)benzamide
The XLogP value of 3.84122 indicates that N-(2,2-Dichloro-1-((4-toluidinocarbothioyl)amino)ethyl)benzamide 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-toluidinocarbothioyl)amino)ethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,2-Dichloro-1-((4-toluidinocarbothioyl)amino)ethyl)benzamide 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-toluidinocarbothioyl)amino)ethyl)benzamide?
The CAS number of N-(2,2-Dichloro-1-((4-toluidinocarbothioyl)amino)ethyl)benzamide is 131695-13-1.
What is the molecular formula of N-(2,2-Dichloro-1-((4-toluidinocarbothioyl)amino)ethyl)benzamide?
The molecular formula of N-(2,2-Dichloro-1-((4-toluidinocarbothioyl)amino)ethyl)benzamide is C17H17Cl2N3OS.
What is the molecular weight of N-(2,2-Dichloro-1-((4-toluidinocarbothioyl)amino)ethyl)benzamide?
The molecular weight of N-(2,2-Dichloro-1-((4-toluidinocarbothioyl)amino)ethyl)benzamide is 381.05 g/mol.
Where can I buy N-(2,2-Dichloro-1-((4-toluidinocarbothioyl)amino)ethyl)benzamide?
You can request a quote for N-(2,2-Dichloro-1-((4-toluidinocarbothioyl)amino)ethyl)benzamide 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-toluidinocarbothioyl)amino)ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2-Dichloro-1-((4-toluidinocarbothioyl)amino)ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.