3-Tert-butyl-1-tosyl-urea
TL;DR: 3-Tert-butyl-1-tosyl-urea (CAS 1219794-57-6) 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-tert-butyl-3-(4-methylphenyl)sulfonylurea
Also Known As: Tolbutamide-d9, 3-tert-butyl-1-tosyl-urea, DivK1c_004545, CDS1_003505, 3-tert-butyl-1-(p-tolylsulfonyl)-urea
Technical Specifications
| Molecular Formula | C12H18N2O3S |
| Molecular Weight | 270.10382 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 83.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.10382 Da |
| Heavy Atoms | 18 |
| Complexity | 385.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(C)(C)C |
| InChIKey | KGDPVKYFROQKNE-UHFFFAOYSA-N |
Chemical Property Profile of 3-Tert-butyl-1-tosyl-urea
Property Insights of 3-Tert-butyl-1-tosyl-urea
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Tert-butyl-1-tosyl-urea. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Tert-butyl-1-tosyl-urea. Following Lipinski's Rule of Five, 3-Tert-butyl-1-tosyl-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 3-Tert-butyl-1-tosyl-urea?
The CAS number of 3-Tert-butyl-1-tosyl-urea is 1219794-57-6.
What is the molecular formula of 3-Tert-butyl-1-tosyl-urea?
The molecular formula of 3-Tert-butyl-1-tosyl-urea is C12H18N2O3S.
What is the molecular weight of 3-Tert-butyl-1-tosyl-urea?
The molecular weight of 3-Tert-butyl-1-tosyl-urea is 270.10382 g/mol.
Where can I buy 3-Tert-butyl-1-tosyl-urea?
You can request a quote for 3-Tert-butyl-1-tosyl-urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Tert-butyl-1-tosyl-urea?
Yes, CoreyChem provides custom synthesis services for 3-Tert-butyl-1-tosyl-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.