![1-[4-[(3,5-Dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea structure](/static/products/458/458553-52-1.png)
1-[4-[(3,5-Dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea
TL;DR: 1-[4-[(3,5-Dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea (CAS 458553-52-1) 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-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea
Also Known As: AN-329/40922971, 1-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea, 1-{4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}-3-phenylthiourea, 4-[(anilinocarbonothioyl)amino]-N-(3,5-dimethylphenyl)benzenesulfonamide, N-(3,5-dimethylphenyl)-4-[(phenylcarbamothioyl)amino]benzenesulfonamide
| Molecular Formula | C21H21N3O2S2 |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 4.91314 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1075 |
| Heavy Atoms | 28 |
| Complexity | 1060.1434 |
Chemical Identifiers
| CAS Number | 458553-52-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3)C |
Product Overview
1-[4-[(3,5-Dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea (CAS 458553-52-1), with molecular formula C21H21N3O2S2 and molecular weight 411.11 g/mol. IUPAC: 1-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea.
Chemical Property Profile of 1-[4-[(3,5-Dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea
Property Insights of 1-[4-[(3,5-Dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea
The XLogP value of 4.91314 indicates that 1-[4-[(3,5-Dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-[(3,5-Dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea. Following Lipinski's Rule of Five, 1-[4-[(3,5-Dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea has 3 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-[(3,5-Dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea?
The CAS number of 1-[4-[(3,5-Dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea is 458553-52-1.
What is the molecular formula of 1-[4-[(3,5-Dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea?
The molecular formula of 1-[4-[(3,5-Dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea is C21H21N3O2S2.
What is the molecular weight of 1-[4-[(3,5-Dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea?
The molecular weight of 1-[4-[(3,5-Dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea is 411.11 g/mol.
Where can I buy 1-[4-[(3,5-Dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea?
You can request a quote for 1-[4-[(3,5-Dimethylphenyl)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-[(3,5-Dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[(3,5-Dimethylphenyl)sulfamoyl]phenyl]-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.