![4-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide structure](/static/products/2946/294658-44-9.webp)
4-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide
TL;DR: 4-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide (CAS 294658-44-9) is a chemical compound with molecular formula C17H17Cl3N4O4S2 and molecular weight 509.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]benzamide
Also Known As: 4-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide, N-{1-[({[4-(aminosulfonyl)phenyl]amino}carbonothioyl)amino]-2,2,2-trichloroethyl}-4-methoxybenzamide, 4-methoxy-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]benzamide, 4-methoxy-N-(2,2,2-trichloro-1-(3-(4-sulfamoylphenyl)thioureido)ethyl)benzamide, amino-p-{3-[1-(p-anisoylamino)-2,2,2-trichloroethyl]thioureido}phenyl(oxo)-lambda-sulfaniumolate
| Molecular Formula | C17H17Cl3N4O4S2 |
|---|---|
| Molecular Weight | 509.98 g/mol |
| LogP | 2.7553 |
| Topological Polar Surface Area | 122.55 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.97568 |
| Heavy Atoms | 30 |
| Complexity | 1010.79395 |
Chemical Identifiers
| CAS Number | 294658-44-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N |
Product Overview
4-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide (CAS 294658-44-9), with molecular formula C17H17Cl3N4O4S2 and molecular weight 509.98 g/mol. IUPAC: 4-methoxy-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of 4-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide
Property Insights of 4-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide
The XLogP value of 2.7553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide. The TPSA of 122.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide. Following Lipinski's Rule of Five, 4-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide has 4 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-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide?
The CAS number of 4-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide is 294658-44-9.
What is the molecular formula of 4-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide?
The molecular formula of 4-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide is C17H17Cl3N4O4S2.
What is the molecular weight of 4-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide?
The molecular weight of 4-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide is 509.98 g/mol.
Where can I buy 4-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide?
You can request a quote for 4-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)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-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.