1-(2-Chloroethyl)-3-cyclooctylurea
TL;DR: 1-(2-Chloroethyl)-3-cyclooctylurea (CAS 16232-99-8) is a chemical compound with molecular formula C11H21ClN2O and molecular weight 232.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-cyclooctylurea
Also Known As: 1-(2-chloroethyl)-3-cyclooctylurea, KST-1B0797, N-(2-Chloroethyl)-N'-cyclooctylurea, 1-(2-chloroethyl)-3-cyclooctyl-urea
| Molecular Formula | C11H21ClN2O |
|---|---|
| Molecular Weight | 232.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.13425 |
| Heavy Atoms | 15 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 16232-99-8 |
|---|---|
| SMILES | C1CCCC(CCC1)NC(=O)NCCCl |
| InChIKey | NXAQIGSRKKTKQI-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethyl)-3-cyclooctylurea (CAS 16232-99-8), with molecular formula C11H21ClN2O and molecular weight 232.13 g/mol. IUPAC: 1-(2-chloroethyl)-3-cyclooctylurea.
Chemical Property Profile of 1-(2-Chloroethyl)-3-cyclooctylurea
Property Insights of 1-(2-Chloroethyl)-3-cyclooctylurea
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)-3-cyclooctylurea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-(2-Chloroethyl)-3-cyclooctylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-cyclooctylurea 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-(2-Chloroethyl)-3-cyclooctylurea?
The CAS number of 1-(2-Chloroethyl)-3-cyclooctylurea is 16232-99-8.
What is the molecular formula of 1-(2-Chloroethyl)-3-cyclooctylurea?
The molecular formula of 1-(2-Chloroethyl)-3-cyclooctylurea is C11H21ClN2O.
What is the molecular weight of 1-(2-Chloroethyl)-3-cyclooctylurea?
The molecular weight of 1-(2-Chloroethyl)-3-cyclooctylurea is 232.13 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-cyclooctylurea?
You can request a quote for 1-(2-Chloroethyl)-3-cyclooctylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-3-cyclooctylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3-cyclooctylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.