3-((4-Methylphenyl)sulfonyl)-1-(2-phenylethyl)urea
TL;DR: 3-((4-Methylphenyl)sulfonyl)-1-(2-phenylethyl)urea (CAS 101289-36-5) is a chemical compound with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfonyl-3-(2-phenylethyl)urea
Also Known As: 3-(4-methylbenzenesulfonyl)-1-(2-phenylethyl)urea, 1-phenethyl-3-(p-tolylsulfonyl)urea, 3-((4-METHYLPHENYL)SULFONYL)-1-(2-PHENYLETHYL)UREA, NCI60_012334, 1-(4-methylphenyl)sulfonyl-3-phenethylurea
| Molecular Formula | C16H18N2O3S |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.10382 |
| Heavy Atoms | 22 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 101289-36-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=CC=CC=C2 |
| InChIKey | CZHCDTXIWCBSSU-UHFFFAOYSA-N |
Product Overview
3-((4-Methylphenyl)sulfonyl)-1-(2-phenylethyl)urea (CAS 101289-36-5), with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol. IUPAC: 1-(4-methylphenyl)sulfonyl-3-(2-phenylethyl)urea.
Chemical Property Profile of 3-((4-Methylphenyl)sulfonyl)-1-(2-phenylethyl)urea
Property Insights of 3-((4-Methylphenyl)sulfonyl)-1-(2-phenylethyl)urea
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Methylphenyl)sulfonyl)-1-(2-phenylethyl)urea. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Methylphenyl)sulfonyl)-1-(2-phenylethyl)urea. Following Lipinski's Rule of Five, 3-((4-Methylphenyl)sulfonyl)-1-(2-phenylethyl)urea 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 3-((4-Methylphenyl)sulfonyl)-1-(2-phenylethyl)urea?
The CAS number of 3-((4-Methylphenyl)sulfonyl)-1-(2-phenylethyl)urea is 101289-36-5.
What is the molecular formula of 3-((4-Methylphenyl)sulfonyl)-1-(2-phenylethyl)urea?
The molecular formula of 3-((4-Methylphenyl)sulfonyl)-1-(2-phenylethyl)urea is C16H18N2O3S.
What is the molecular weight of 3-((4-Methylphenyl)sulfonyl)-1-(2-phenylethyl)urea?
The molecular weight of 3-((4-Methylphenyl)sulfonyl)-1-(2-phenylethyl)urea is 318.10 g/mol.
Where can I buy 3-((4-Methylphenyl)sulfonyl)-1-(2-phenylethyl)urea?
You can request a quote for 3-((4-Methylphenyl)sulfonyl)-1-(2-phenylethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-Methylphenyl)sulfonyl)-1-(2-phenylethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Methylphenyl)sulfonyl)-1-(2-phenylethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.