![1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea structure](/static/products/4960/496040-80-3.webp)
1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea
TL;DR: 1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea (CAS 496040-80-3) is a chemical compound with molecular formula C21H21N3O2S2 and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea
Also Known As: 1-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea, AN-329/41473716, 4-[(anilinocarbothioyl)amino]-N-benzyl-N-methylbenzenesulfonamide, 4-[(anilinocarbonothioyl)amino]-N-benzyl-N-methylbenzenesulfonamide, N-benzyl-N-methyl-4-[(phenylcarbamothioyl)amino]benzenesulfonamide
| Molecular Formula | C21H21N3O2S2 |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 4.3162 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.1075 |
| Heavy Atoms | 28 |
| Complexity | 1022.26544 |
Chemical Identifiers
| CAS Number | 496040-80-3 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3 |
Product Overview
1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea (CAS 496040-80-3), with molecular formula C21H21N3O2S2 and molecular weight 411.11 g/mol. IUPAC: 1-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea.
Chemical Property Profile of 1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea
Property Insights of 1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea
The XLogP value of 4.3162 indicates that 1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea. Following Lipinski's Rule of Five, 1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea has 2 hydrogen bond donor(s) and 3 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 1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea?
The CAS number of 1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea is 496040-80-3.
What is the molecular formula of 1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea?
The molecular formula of 1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea is C21H21N3O2S2.
What is the molecular weight of 1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea?
The molecular weight of 1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea is 411.11 g/mol.
Where can I buy 1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea?
You can request a quote for 1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.