2-(4-Bromobutyl)-2-methyl-1,3-dioxolane
TL;DR: 2-(4-Bromobutyl)-2-methyl-1,3-dioxolane (CAS 20210-14-4) is a chemical compound with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromobutyl)-2-methyl-1,3-dioxolane
Also Known As: 2-(4-Bromobutyl)-2-methyl-1,3-dioxolane, 6-Bromo-2-hexanone ethylene ketal, 2- -2-methyl-1,3-dioxolane, 6-bromohexan-2-one ethylene ketal, 1,3-Dioxolane, 2-(4-bromobutyl)-2-methyl-
| Molecular Formula | C8H15BrO2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.02554 |
| Heavy Atoms | 11 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 20210-14-4 |
|---|---|
| SMILES | CC1(OCCO1)CCCCBr |
| InChIKey | LILWCYXXHPIZSQ-UHFFFAOYSA-N |
Product Overview
2-(4-Bromobutyl)-2-methyl-1,3-dioxolane (CAS 20210-14-4), with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol. IUPAC: 2-(4-bromobutyl)-2-methyl-1,3-dioxolane.
Chemical Property Profile of 2-(4-Bromobutyl)-2-methyl-1,3-dioxolane
Property Insights of 2-(4-Bromobutyl)-2-methyl-1,3-dioxolane
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromobutyl)-2-methyl-1,3-dioxolane. With a topological polar surface area (TPSA) of 18.5 Ų, 2-(4-Bromobutyl)-2-methyl-1,3-dioxolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromobutyl)-2-methyl-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 2-(4-Bromobutyl)-2-methyl-1,3-dioxolane?
The CAS number of 2-(4-Bromobutyl)-2-methyl-1,3-dioxolane is 20210-14-4.
What is the molecular formula of 2-(4-Bromobutyl)-2-methyl-1,3-dioxolane?
The molecular formula of 2-(4-Bromobutyl)-2-methyl-1,3-dioxolane is C8H15BrO2.
What is the molecular weight of 2-(4-Bromobutyl)-2-methyl-1,3-dioxolane?
The molecular weight of 2-(4-Bromobutyl)-2-methyl-1,3-dioxolane is 222.03 g/mol.
Where can I buy 2-(4-Bromobutyl)-2-methyl-1,3-dioxolane?
You can request a quote for 2-(4-Bromobutyl)-2-methyl-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-(4-Bromobutyl)-2-methyl-1,3-dioxolane?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromobutyl)-2-methyl-1,3-dioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.