N-butyl-N'-(1-ethynylcyclohexyl)urea
TL;DR: N-butyl-N'-(1-ethynylcyclohexyl)urea (CAS 92107-11-4) is a chemical compound with molecular formula C13H22N2O and molecular weight 222.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-(1-ethynylcyclohexyl)urea
Also Known As: N-butyl-N'-(1-ethynylcyclohexyl)urea, 3-butyl-1-(1-ethynylcyclohexyl)urea, 1-butyl-3-(1-ethynylcyclohexyl)urea
| Molecular Formula | C13H22N2O |
|---|---|
| Molecular Weight | 222.17 g/mol |
| LogP | 2.4218 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.17322 |
| Heavy Atoms | 16 |
| Complexity | 261.59637 |
Chemical Identifiers
| CAS Number | 92107-11-4 |
|---|---|
| SMILES | CCCCNC(=O)NC1(CCCCC1)C#C |
Product Overview
N-butyl-N'-(1-ethynylcyclohexyl)urea (CAS 92107-11-4), with molecular formula C13H22N2O and molecular weight 222.17 g/mol. IUPAC: 1-butyl-3-(1-ethynylcyclohexyl)urea.
Chemical Property Profile of N-butyl-N'-(1-ethynylcyclohexyl)urea
Property Insights of N-butyl-N'-(1-ethynylcyclohexyl)urea
The XLogP value of 2.4218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-N'-(1-ethynylcyclohexyl)urea. With a topological polar surface area (TPSA) of 41.13 Ų, N-butyl-N'-(1-ethynylcyclohexyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-N'-(1-ethynylcyclohexyl)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 N-butyl-N'-(1-ethynylcyclohexyl)urea?
The CAS number of N-butyl-N'-(1-ethynylcyclohexyl)urea is 92107-11-4.
What is the molecular formula of N-butyl-N'-(1-ethynylcyclohexyl)urea?
The molecular formula of N-butyl-N'-(1-ethynylcyclohexyl)urea is C13H22N2O.
What is the molecular weight of N-butyl-N'-(1-ethynylcyclohexyl)urea?
The molecular weight of N-butyl-N'-(1-ethynylcyclohexyl)urea is 222.17 g/mol.
Where can I buy N-butyl-N'-(1-ethynylcyclohexyl)urea?
You can request a quote for N-butyl-N'-(1-ethynylcyclohexyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-N'-(1-ethynylcyclohexyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-N'-(1-ethynylcyclohexyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.