4-(Chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane
TL;DR: 4-(Chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane (CAS 57840-71-8) is a chemical compound with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane
Also Known As: 4-(chloromethyl)-2-isobutyl-2-methyl-1,3-dioxolane, 4-(chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane, 1,3-Dioxolane,4-(chloromethyl)-2-methyl-2-(2-methylpropyl)-(9CI), 2-(2-Methylpropyl)-2-methyl-4-(chloromethyl)-1,3-dioxolane, 1,3-Dioxolane, 4-(chloromethyl)-2-methyl-2-(2-methylpropyl)-
| Molecular Formula | C9H17ClO2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | 2.4029 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.0917 |
| Heavy Atoms | 12 |
| Complexity | 149.46396 |
Chemical Identifiers
| CAS Number | 57840-71-8 |
|---|---|
| SMILES | CC(C)CC1(OCC(O1)CCl)C |
Product Overview
4-(Chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane (CAS 57840-71-8), with molecular formula C9H17ClO2 and molecular weight 192.09 g/mol. IUPAC: 4-(chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane.
Chemical Property Profile of 4-(Chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane
Property Insights of 4-(Chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane
The XLogP value of 2.4029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane. With a topological polar surface area (TPSA) of 18.46 Ų, 4-(Chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane has 0 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 4-(Chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane?
The CAS number of 4-(Chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane is 57840-71-8.
What is the molecular formula of 4-(Chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane?
The molecular formula of 4-(Chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane is C9H17ClO2.
What is the molecular weight of 4-(Chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane?
The molecular weight of 4-(Chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane is 192.09 g/mol.
Where can I buy 4-(Chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane?
You can request a quote for 4-(Chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.