2-(2-Chloroethenyl)-2-ethynyl-3-methyloxirane
TL;DR: 2-(2-Chloroethenyl)-2-ethynyl-3-methyloxirane (CAS 74107-08-7) is a chemical compound with molecular formula CC1C(O1)(C=CCl)C#C and molecular weight 142.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroethenyl)-2-ethynyl-3-methyloxirane
Also Known As: 2-[(E)-2-chloroethenyl]-2-ethynyl-3-methyloxirane
| Molecular Formula | CC1C(O1)(C=CCl)C#C |
|---|---|
| Molecular Weight | 142.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.01854 |
| Heavy Atoms | 9 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 74107-08-7 |
|---|---|
| SMILES | CC1C(O1)(C=CCl)C#C |
| InChIKey | NZTILSLTLDHFRG-UHFFFAOYSA-N |
Product Overview
2-(2-Chloroethenyl)-2-ethynyl-3-methyloxirane (CAS 74107-08-7), with molecular formula CC1C(O1)(C=CCl)C#C and molecular weight 142.02 g/mol. IUPAC: 2-(2-chloroethenyl)-2-ethynyl-3-methyloxirane.
Chemical Property Profile of 2-(2-Chloroethenyl)-2-ethynyl-3-methyloxirane
Property Insights of 2-(2-Chloroethenyl)-2-ethynyl-3-methyloxirane
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chloroethenyl)-2-ethynyl-3-methyloxirane. With a topological polar surface area (TPSA) of 12.5 Ų, 2-(2-Chloroethenyl)-2-ethynyl-3-methyloxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloroethenyl)-2-ethynyl-3-methyloxirane has 0 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 2-(2-Chloroethenyl)-2-ethynyl-3-methyloxirane?
The CAS number of 2-(2-Chloroethenyl)-2-ethynyl-3-methyloxirane is 74107-08-7.
What is the molecular formula of 2-(2-Chloroethenyl)-2-ethynyl-3-methyloxirane?
The molecular formula of 2-(2-Chloroethenyl)-2-ethynyl-3-methyloxirane is CC1C(O1)(C=CCl)C#C.
What is the molecular weight of 2-(2-Chloroethenyl)-2-ethynyl-3-methyloxirane?
The molecular weight of 2-(2-Chloroethenyl)-2-ethynyl-3-methyloxirane is 142.02 g/mol.
Where can I buy 2-(2-Chloroethenyl)-2-ethynyl-3-methyloxirane?
You can request a quote for 2-(2-Chloroethenyl)-2-ethynyl-3-methyloxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chloroethenyl)-2-ethynyl-3-methyloxirane?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloroethenyl)-2-ethynyl-3-methyloxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.