1-(4-Tert-butylcyclohexyl)urea
TL;DR: 1-(4-Tert-butylcyclohexyl)urea (CAS 31239-51-7) is a chemical compound with molecular formula C11H22N2O and molecular weight 198.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylcyclohexyl)urea
Also Known As: 1-(4-tert-butylcyclohexyl)urea, (4-tert-butylcyclohexyl)urea, N-(4-tert-Butylcyclohexyl)urea, KST-1B2964, Urea,(4-tert-butylcyclohexyl)-, trans- (8CI)
| Molecular Formula | C11H22N2O |
|---|---|
| Molecular Weight | 198.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.17322 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 31239-51-7 |
|---|---|
| SMILES | CC(C)(C)C1CCC(CC1)NC(=O)N |
| InChIKey | OCZMZKQBUWSMHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Tert-butylcyclohexyl)urea (CAS 31239-51-7), with molecular formula C11H22N2O and molecular weight 198.17 g/mol. IUPAC: (4-tert-butylcyclohexyl)urea.
Chemical Property Profile of 1-(4-Tert-butylcyclohexyl)urea
Property Insights of 1-(4-Tert-butylcyclohexyl)urea
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Tert-butylcyclohexyl)urea. With a topological polar surface area (TPSA) of 55.1 Ų, 1-(4-Tert-butylcyclohexyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Tert-butylcyclohexyl)urea has 2 hydrogen bond donor(s) and 1 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-Tert-butylcyclohexyl)urea?
The CAS number of 1-(4-Tert-butylcyclohexyl)urea is 31239-51-7.
What is the molecular formula of 1-(4-Tert-butylcyclohexyl)urea?
The molecular formula of 1-(4-Tert-butylcyclohexyl)urea is C11H22N2O.
What is the molecular weight of 1-(4-Tert-butylcyclohexyl)urea?
The molecular weight of 1-(4-Tert-butylcyclohexyl)urea is 198.17 g/mol.
Where can I buy 1-(4-Tert-butylcyclohexyl)urea?
You can request a quote for 1-(4-Tert-butylcyclohexyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Tert-butylcyclohexyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Tert-butylcyclohexyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.