1,3-Dioxolane, 2-(chloromethyl)-4-methyl-
TL;DR: 1,3-Dioxolane, 2-(chloromethyl)-4-methyl- (CAS 16390-83-3) is a chemical compound with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-4-methyl-1,3-dioxolane
Also Known As: 2-(Chloromethyl)-4-methyl-1,3-dioxolane, 4-methyl-1,3-dioxolan-2-ylmethyl chloride, 1,3-Dioxolane, 2-(chloromethyl)-4-methyl-, 2-(Chloromethyl)-4-methyl-1,3-dioxolane #
| Molecular Formula | C5H9ClO2 |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.02911 |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 16390-83-3 |
|---|---|
| SMILES | CC1COC(O1)CCl |
| InChIKey | HYEYMSSDTJVOPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxolane, 2-(chloromethyl)-4-methyl- (CAS 16390-83-3), with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol. IUPAC: 2-(chloromethyl)-4-methyl-1,3-dioxolane.
Chemical Property Profile of 1,3-Dioxolane, 2-(chloromethyl)-4-methyl-
Property Insights of 1,3-Dioxolane, 2-(chloromethyl)-4-methyl-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxolane, 2-(chloromethyl)-4-methyl-. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxolane, 2-(chloromethyl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolane, 2-(chloromethyl)-4-methyl- 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 1,3-Dioxolane, 2-(chloromethyl)-4-methyl-?
The CAS number of 1,3-Dioxolane, 2-(chloromethyl)-4-methyl- is 16390-83-3.
What is the molecular formula of 1,3-Dioxolane, 2-(chloromethyl)-4-methyl-?
The molecular formula of 1,3-Dioxolane, 2-(chloromethyl)-4-methyl- is C5H9ClO2.
What is the molecular weight of 1,3-Dioxolane, 2-(chloromethyl)-4-methyl-?
The molecular weight of 1,3-Dioxolane, 2-(chloromethyl)-4-methyl- is 136.03 g/mol.
Where can I buy 1,3-Dioxolane, 2-(chloromethyl)-4-methyl-?
You can request a quote for 1,3-Dioxolane, 2-(chloromethyl)-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolane, 2-(chloromethyl)-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolane, 2-(chloromethyl)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.