N-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea
TL;DR: N-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea (CAS 646506-50-5) is a chemical compound with molecular formula C11H15Cl3N2O2 and molecular weight 312.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-ethynylcyclohexyl)-3-(2,2,2-trichloro-1-hydroxyethyl)urea
Also Known As: N-(1-eth-1-ynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea, 1-(1-ethynylcyclohexyl)-3-(2,2,2-trichloro-1-hydroxyethyl)urea, N-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea, Urea, N-(1-ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)-, N-(1-Ethynylcyclohexyl)-Na(2)-(2,2,2-trichloro-1-hydroxyethyl)urea
| Molecular Formula | C11H15Cl3N2O2 |
|---|---|
| Molecular Weight | 312.02 g/mol |
| LogP | 2.3103 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.0199 |
| Heavy Atoms | 18 |
| Complexity | 343.17795 |
Chemical Identifiers
| CAS Number | 646506-50-5 |
|---|---|
| SMILES | C#CC1(CCCCC1)NC(=O)NC(C(Cl)(Cl)Cl)O |
Product Overview
N-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea (CAS 646506-50-5), with molecular formula C11H15Cl3N2O2 and molecular weight 312.02 g/mol. IUPAC: 1-(1-ethynylcyclohexyl)-3-(2,2,2-trichloro-1-hydroxyethyl)urea.
Chemical Property Profile of N-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea
Property Insights of N-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea
The XLogP value of 2.3103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea. Following Lipinski's Rule of Five, N-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea has 3 hydrogen bond donor(s) and 2 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-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea?
The CAS number of N-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea is 646506-50-5.
What is the molecular formula of N-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea?
The molecular formula of N-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea is C11H15Cl3N2O2.
What is the molecular weight of N-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea?
The molecular weight of N-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea is 312.02 g/mol.
Where can I buy N-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea?
You can request a quote for N-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Ethynylcyclohexyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.