1-Isobutyl-3-(para-tolylsulfonyl)-urea
TL;DR: 1-Isobutyl-3-(para-tolylsulfonyl)-urea (CAS 16509-51-6) is a chemical compound with molecular formula C12H18N2O3S and molecular weight 270.10382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)urea
Also Known As: i-butyl-3-p-toluylsulphonyl urea, N-isobutyl-N'-(toluene-4-sulfonyl)-urea, Urea, 1-isobutyl-3-(p-tolylsulfonyl)-, 1-ISOBUTYL-3-(PARA-TOLYLSULFONYL)-UREA, 1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)urea
Technical Specifications
| Molecular Formula | C12H18N2O3S |
| Molecular Weight | 270.10382 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 83.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.10382 Da |
| Heavy Atoms | 18 |
| Complexity | 365.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC(C)C |
| InChIKey | JTDKEDJPCUTMJL-UHFFFAOYSA-N |
Chemical Property Profile of 1-Isobutyl-3-(para-tolylsulfonyl)-urea
Property Insights of 1-Isobutyl-3-(para-tolylsulfonyl)-urea
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isobutyl-3-(para-tolylsulfonyl)-urea. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Isobutyl-3-(para-tolylsulfonyl)-urea. Following Lipinski's Rule of Five, 1-Isobutyl-3-(para-tolylsulfonyl)-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
What is the CAS number of 1-Isobutyl-3-(para-tolylsulfonyl)-urea?
The CAS number of 1-Isobutyl-3-(para-tolylsulfonyl)-urea is 16509-51-6.
What is the molecular formula of 1-Isobutyl-3-(para-tolylsulfonyl)-urea?
The molecular formula of 1-Isobutyl-3-(para-tolylsulfonyl)-urea is C12H18N2O3S.
What is the molecular weight of 1-Isobutyl-3-(para-tolylsulfonyl)-urea?
The molecular weight of 1-Isobutyl-3-(para-tolylsulfonyl)-urea is 270.10382 g/mol.
Where can I buy 1-Isobutyl-3-(para-tolylsulfonyl)-urea?
You can request a quote for 1-Isobutyl-3-(para-tolylsulfonyl)-urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Isobutyl-3-(para-tolylsulfonyl)-urea?
Yes, CoreyChem provides custom synthesis services for 1-Isobutyl-3-(para-tolylsulfonyl)-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.