1-(2-Chloroethyl)-3-prop-2-ynylurea
TL;DR: 1-(2-Chloroethyl)-3-prop-2-ynylurea (CAS 142238-02-6) is a chemical compound with molecular formula C6H9ClN2O and molecular weight 160.04034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-prop-2-ynylurea
Also Known As: 1-(2-chloroethyl)-3-(2-propynyl)urea, 1-(2-chloroethyl)-3-prop-2-ynylurea, 1-(2-chloroethyl)-3-(prop-2-yn-1-yl)urea
Technical Specifications
| Molecular Formula | C6H9ClN2O |
| Molecular Weight | 160.04034 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.04034 Da |
| Heavy Atoms | 10 |
| Complexity | 149.0 |
| SMILES | C#CCNC(=O)NCCCl |
| InChIKey | GEENDFICVYEUCW-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Chloroethyl)-3-prop-2-ynylurea
Property Insights of 1-(2-Chloroethyl)-3-prop-2-ynylurea
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)-3-prop-2-ynylurea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-(2-Chloroethyl)-3-prop-2-ynylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-prop-2-ynylurea 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
What is the CAS number of 1-(2-Chloroethyl)-3-prop-2-ynylurea?
The CAS number of 1-(2-Chloroethyl)-3-prop-2-ynylurea is 142238-02-6.
What is the molecular formula of 1-(2-Chloroethyl)-3-prop-2-ynylurea?
The molecular formula of 1-(2-Chloroethyl)-3-prop-2-ynylurea is C6H9ClN2O.
What is the molecular weight of 1-(2-Chloroethyl)-3-prop-2-ynylurea?
The molecular weight of 1-(2-Chloroethyl)-3-prop-2-ynylurea is 160.04034 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-prop-2-ynylurea?
You can request a quote for 1-(2-Chloroethyl)-3-prop-2-ynylurea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Chloroethyl)-3-prop-2-ynylurea?
Yes, CoreyChem provides custom synthesis services for 1-(2-Chloroethyl)-3-prop-2-ynylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.