![4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide structure](/static/products/5164/516457-49-1.webp)
4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide
TL;DR: 4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide (CAS 516457-49-1) is a chemical compound with molecular formula C21H22N4O2S2 and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-anilinophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
Also Known As: 1-(4-anilinophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea, 4-[2-({[4-(phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide, 4-(2-(3-(4-(phenylamino)phenyl)thioureido)ethyl)benzenesulfonamide, 1-[4-(PHENYLAMINO)PHENYL]-3-[2-(4-SULFAMOYLPHENYL)ETHYL]THIOUREA
| Molecular Formula | C21H22N4O2S2 |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 3.6067 |
| Topological Polar Surface Area | 96.25 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.1184 |
| Heavy Atoms | 29 |
| Complexity | 1052.1 |
Chemical Identifiers
| CAS Number | 516457-49-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=S)NCCC3=CC=C(C=C3)S(=O)(=O)N |
Product Overview
4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide (CAS 516457-49-1), with molecular formula C21H22N4O2S2 and molecular weight 426.12 g/mol. IUPAC: 1-(4-anilinophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea.
Chemical Property Profile of 4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide
Property Insights of 4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide
The XLogP value of 3.6067 indicates that 4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide. Following Lipinski's Rule of Five, 4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide has 4 hydrogen bond donor(s) and 4 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 4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide?
The CAS number of 4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide is 516457-49-1.
What is the molecular formula of 4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide?
The molecular formula of 4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide is C21H22N4O2S2.
What is the molecular weight of 4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide?
The molecular weight of 4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide is 426.12 g/mol.
Where can I buy 4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide?
You can request a quote for 4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-({[4-(Phenylamino)phenyl]carbamothioyl}amino)ethyl]benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.