2-(4-Chlorobutyl)-1,3-dioxolane
TL;DR: 2-(4-Chlorobutyl)-1,3-dioxolane (CAS 118336-86-0) is a chemical compound with molecular formula C7H13ClO2 and molecular weight 164.06041 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorobutyl)-1,3-dioxolane
Also Known As: 2-(4-Chlorobutyl)-1,3-dioxolane, 5-Chloropentanal ethylene acetal, 4-NITROPHENYLGLYOXALHYDRATE, 5-Chloro-n-valeraldehyde ethylene acetal, 1,3-Dioxolane,2-(4-chlorobutyl)-
Technical Specifications
| Molecular Formula | C7H13ClO2 |
| Molecular Weight | 164.06041 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.06041 Da |
| Heavy Atoms | 10 |
| Complexity | 81.0 |
| SMILES | C1COC(O1)CCCCCl |
| InChIKey | GFTDGDAKGDUYGO-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Chlorobutyl)-1,3-dioxolane
Property Insights of 2-(4-Chlorobutyl)-1,3-dioxolane
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorobutyl)-1,3-dioxolane. With a topological polar surface area (TPSA) of 18.5 Ų, 2-(4-Chlorobutyl)-1,3-dioxolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorobutyl)-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
What is the CAS number of 2-(4-Chlorobutyl)-1,3-dioxolane?
The CAS number of 2-(4-Chlorobutyl)-1,3-dioxolane is 118336-86-0.
What is the molecular formula of 2-(4-Chlorobutyl)-1,3-dioxolane?
The molecular formula of 2-(4-Chlorobutyl)-1,3-dioxolane is C7H13ClO2.
What is the molecular weight of 2-(4-Chlorobutyl)-1,3-dioxolane?
The molecular weight of 2-(4-Chlorobutyl)-1,3-dioxolane is 164.06041 g/mol.
Where can I buy 2-(4-Chlorobutyl)-1,3-dioxolane?
You can request a quote for 2-(4-Chlorobutyl)-1,3-dioxolane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Chlorobutyl)-1,3-dioxolane?
Yes, CoreyChem provides custom synthesis services for 2-(4-Chlorobutyl)-1,3-dioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.