![4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide structure](/static/products/2946/294658-31-4.webp)
4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide
TL;DR: 4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide (CAS 294658-31-4) is a chemical compound with molecular formula C20H20Cl3N3O4S2 and molecular weight 535.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[2,2,2-trichloro-1-[(4-ethenylsulfonyl-2-methoxyphenyl)carbamothioylamino]ethyl]benzamide
Also Known As: 4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide, 4-methyl-N-[2,2,2-trichloro-1-[(4-ethenylsulfonyl-2-methoxyphenyl)carbamothioylamino]ethyl]benzamide, 4-METHYL-N-[2,2,2-TRICHLORO-1-({[4-(ETHENESULFONYL)-2-METHOXYPHENYL]CARBAMOTHIOYL}AMINO)ETHYL]BENZAMIDE
| Molecular Formula | C20H20Cl3N3O4S2 |
|---|---|
| Molecular Weight | 535.00 g/mol |
| LogP | 4.33352 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 534.9961 |
| Heavy Atoms | 32 |
| Complexity | 1117.9001 |
Chemical Identifiers
| CAS Number | 294658-31-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=C(C=C2)S(=O)(=O)C=C)OC |
Product Overview
4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide (CAS 294658-31-4), with molecular formula C20H20Cl3N3O4S2 and molecular weight 535.00 g/mol. IUPAC: 4-methyl-N-[2,2,2-trichloro-1-[(4-ethenylsulfonyl-2-methoxyphenyl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of 4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide
Property Insights of 4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide
The XLogP value of 4.33352 indicates that 4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide. Following Lipinski's Rule of Five, 4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]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 4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide?
The CAS number of 4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide is 294658-31-4.
What is the molecular formula of 4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide?
The molecular formula of 4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide is C20H20Cl3N3O4S2.
What is the molecular weight of 4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide?
The molecular weight of 4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide is 535.00 g/mol.
Where can I buy 4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide?
You can request a quote for 4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}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 4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-[2,2,2-trichloro-1-({[4-(ethenylsulfonyl)-2-methoxyphenyl]carbamothioyl}amino)ethyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.