3,4,5-Trimethoxy-N(2,2,2-trichloro-1-((4-toluidinocarbothioyl)amino)ET)benzamide
TL;DR: 3,4,5-Trimethoxy-N(2,2,2-trichloro-1-((4-toluidinocarbothioyl)amino)ET)benzamide (CAS 303063-18-5) is a chemical compound with molecular formula C20H22Cl3N3O4S and molecular weight 505.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxy-N-[2,2,2-trichloro-1-[(4-methylphenyl)carbamothioylamino]ethyl]benzamide
Also Known As: BIM-0031608.P001, 3,4,5-TRIMETHOXY-N(2,2,2-TRICHLORO-1-((4-TOLUIDINOCARBOTHIOYL)AMINO)ET)BENZAMIDE, 3,4,5-trimethoxy-N-[2,2,2-trichloro-1-({[(4-methylphenyl)amino]carbonothioyl}amino)ethyl]benzamide, 3,4,5-trimethoxy-N-[2,2,2-trichloro-1-[(4-methylphenyl)carbamothioylamino]ethyl]benzamide, 656-936-0
| Molecular Formula | C20H22Cl3N3O4S |
|---|---|
| Molecular Weight | 505.04 g/mol |
| LogP | 4.43352 |
| Topological Polar Surface Area | 80.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.03967 |
| Heavy Atoms | 31 |
| Complexity | 911.2527 |
Chemical Identifiers
| CAS Number | 303063-18-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
3,4,5-Trimethoxy-N(2,2,2-trichloro-1-((4-toluidinocarbothioyl)amino)ET)benzamide (CAS 303063-18-5), with molecular formula C20H22Cl3N3O4S and molecular weight 505.04 g/mol. IUPAC: 3,4,5-trimethoxy-N-[2,2,2-trichloro-1-[(4-methylphenyl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of 3,4,5-Trimethoxy-N(2,2,2-trichloro-1-((4-toluidinocarbothioyl)amino)ET)benzamide
Property Insights of 3,4,5-Trimethoxy-N(2,2,2-trichloro-1-((4-toluidinocarbothioyl)amino)ET)benzamide
The XLogP value of 4.43352 indicates that 3,4,5-Trimethoxy-N(2,2,2-trichloro-1-((4-toluidinocarbothioyl)amino)ET)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-Trimethoxy-N(2,2,2-trichloro-1-((4-toluidinocarbothioyl)amino)ET)benzamide. Following Lipinski's Rule of Five, 3,4,5-Trimethoxy-N(2,2,2-trichloro-1-((4-toluidinocarbothioyl)amino)ET)benzamide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4,5-Trimethoxy-N(2,2,2-trichloro-1-((4-toluidinocarbothioyl)amino)ET)benzamide?
The CAS number of 3,4,5-Trimethoxy-N(2,2,2-trichloro-1-((4-toluidinocarbothioyl)amino)ET)benzamide is 303063-18-5.
What is the molecular formula of 3,4,5-Trimethoxy-N(2,2,2-trichloro-1-((4-toluidinocarbothioyl)amino)ET)benzamide?
The molecular formula of 3,4,5-Trimethoxy-N(2,2,2-trichloro-1-((4-toluidinocarbothioyl)amino)ET)benzamide is C20H22Cl3N3O4S.
What is the molecular weight of 3,4,5-Trimethoxy-N(2,2,2-trichloro-1-((4-toluidinocarbothioyl)amino)ET)benzamide?
The molecular weight of 3,4,5-Trimethoxy-N(2,2,2-trichloro-1-((4-toluidinocarbothioyl)amino)ET)benzamide is 505.04 g/mol.
Where can I buy 3,4,5-Trimethoxy-N(2,2,2-trichloro-1-((4-toluidinocarbothioyl)amino)ET)benzamide?
You can request a quote for 3,4,5-Trimethoxy-N(2,2,2-trichloro-1-((4-toluidinocarbothioyl)amino)ET)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Trimethoxy-N(2,2,2-trichloro-1-((4-toluidinocarbothioyl)amino)ET)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethoxy-N(2,2,2-trichloro-1-((4-toluidinocarbothioyl)amino)ET)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.