2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane
TL;DR: 2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane (CAS 3406-77-7) is a chemical compound with molecular formula C12H14ClFO2 and molecular weight 244.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloropropyl)-4-(4-fluorophenyl)-1,3-dioxolane
Also Known As: 4-(3-chloropropyl)-4-(4-fluorophenyl)-1,3-dioxolane, 2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane, 2-(3-chloropropyl)-2-(4-fluorophenyl)-1,3-dioxolane, 221-993-9, EINECS 221-993-9
| Molecular Formula | C12H14ClFO2 |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.06664 |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 3406-77-7 |
|---|---|
| SMILES | C1C(OCO1)(CCCCl)C2=CC=C(C=C2)F |
| InChIKey | NHKTWTJPGLFCQL-UHFFFAOYSA-N |
Product Overview
2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane (CAS 3406-77-7), with molecular formula C12H14ClFO2 and molecular weight 244.07 g/mol. IUPAC: 4-(3-chloropropyl)-4-(4-fluorophenyl)-1,3-dioxolane.
Chemical Property Profile of 2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane
Property Insights of 2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane. With a topological polar surface area (TPSA) of 18.5 Ų, 2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane 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 2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane?
The CAS number of 2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane is 3406-77-7.
What is the molecular formula of 2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane?
The molecular formula of 2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane is C12H14ClFO2.
What is the molecular weight of 2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane?
The molecular weight of 2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane is 244.07 g/mol.
Where can I buy 2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane?
You can request a quote for 2-(3-Chloropropyl)-2-(p-fluorophenyl)-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 2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.