3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane
TL;DR: 3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane (CAS 105949-85-7) is a chemical compound with molecular formula C5H7ClO3 and molecular weight 150.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-chloroethenyl)-3-methyl-1,2,4-trioxolane
Also Known As: 3-(1-Chlorovinyl)-3-methyl-1,2,4-trioxolane, 3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane, 3-(1-chloroethyl)-3-methyl-1,2,4-trioxolane, 3-(1-Chlorovinyl)-3-methyl-1,2,4-trioxolane #
| Molecular Formula | C5H7ClO3 |
|---|---|
| Molecular Weight | 150.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.00838 |
| Heavy Atoms | 9 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 105949-85-7 |
|---|---|
| SMILES | CC1(OCOO1)C(=C)Cl |
| InChIKey | HOSFIKRYCGDEBE-UHFFFAOYSA-N |
Product Overview
3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane (CAS 105949-85-7), with molecular formula C5H7ClO3 and molecular weight 150.01 g/mol. IUPAC: 3-(1-chloroethenyl)-3-methyl-1,2,4-trioxolane.
Chemical Property Profile of 3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane
Property Insights of 3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane. With a topological polar surface area (TPSA) of 27.7 Ų, 3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane has 0 hydrogen bond donor(s) and 3 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 3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane?
The CAS number of 3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane is 105949-85-7.
What is the molecular formula of 3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane?
The molecular formula of 3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane is C5H7ClO3.
What is the molecular weight of 3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane?
The molecular weight of 3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane is 150.01 g/mol.
Where can I buy 3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane?
You can request a quote for 3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Chloroethenyl)-3-methyl-1,2,4-trioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.