4,5-Bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane
TL;DR: 4,5-Bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane (CAS 20955-36-6) is a chemical compound with molecular formula C7H12Cl2O2 and molecular weight 198.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane
Also Known As: 1,4-Dichlorobutane-2,3-acetonide, 4,5-Bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane, 1,3-Dioxolane, 4,5-bis(chloromethyl)-2,2-dimethyl-, 4,5-Bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane #
| Molecular Formula | C7H12Cl2O2 |
|---|---|
| Molecular Weight | 198.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.02144 |
| Heavy Atoms | 11 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 20955-36-6 |
|---|---|
| SMILES | CC1(OC(C(O1)CCl)CCl)C |
| InChIKey | PVXZARKDSQSVOM-UHFFFAOYSA-N |
Product Overview
4,5-Bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane (CAS 20955-36-6), with molecular formula C7H12Cl2O2 and molecular weight 198.02 g/mol. IUPAC: 4,5-bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane.
Chemical Property Profile of 4,5-Bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane
Property Insights of 4,5-Bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane. With a topological polar surface area (TPSA) of 18.5 Ų, 4,5-Bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Bis(chloromethyl)-2,2-dimethyl-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 4,5-Bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane?
The CAS number of 4,5-Bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane is 20955-36-6.
What is the molecular formula of 4,5-Bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane?
The molecular formula of 4,5-Bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane is C7H12Cl2O2.
What is the molecular weight of 4,5-Bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane?
The molecular weight of 4,5-Bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane is 198.02 g/mol.
Where can I buy 4,5-Bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane?
You can request a quote for 4,5-Bis(chloromethyl)-2,2-dimethyl-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 4,5-Bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Bis(chloromethyl)-2,2-dimethyl-1,3-dioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.