4-Bromoacetoxymethyl-m-dioxolane
TL;DR: 4-Bromoacetoxymethyl-m-dioxolane (CAS 5137-36-0) is a chemical compound with molecular formula C6H9BrO4 and molecular weight 223.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxolan-4-ylmethyl 2-bromoacetate
Also Known As: Caswell No. 113, 4-Bromoacetoxymethyl-m-dioxolane, 1,3-Dioxolane-4-methanol bromoacetate, 4-(Bromoacetoxymethyl)-m-dioxolane, 1,3-Dioxolan-4-ylmethyl bromoacetate
| Molecular Formula | C6H9BrO4 |
|---|---|
| Molecular Weight | 223.97 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.96841 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 5137-36-0 |
|---|---|
| SMILES | C1C(OCO1)COC(=O)CBr |
| InChIKey | XIPUPLUONQGLHW-UHFFFAOYSA-N |
Product Overview
4-Bromoacetoxymethyl-m-dioxolane (CAS 5137-36-0), with molecular formula C6H9BrO4 and molecular weight 223.97 g/mol. IUPAC: 1,3-dioxolan-4-ylmethyl 2-bromoacetate.
Chemical Property Profile of 4-Bromoacetoxymethyl-m-dioxolane
Property Insights of 4-Bromoacetoxymethyl-m-dioxolane
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromoacetoxymethyl-m-dioxolane. With a topological polar surface area (TPSA) of 44.8 Ų, 4-Bromoacetoxymethyl-m-dioxolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromoacetoxymethyl-m-dioxolane has 0 hydrogen bond donor(s) and 4 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-Bromoacetoxymethyl-m-dioxolane?
The CAS number of 4-Bromoacetoxymethyl-m-dioxolane is 5137-36-0.
What is the molecular formula of 4-Bromoacetoxymethyl-m-dioxolane?
The molecular formula of 4-Bromoacetoxymethyl-m-dioxolane is C6H9BrO4.
What is the molecular weight of 4-Bromoacetoxymethyl-m-dioxolane?
The molecular weight of 4-Bromoacetoxymethyl-m-dioxolane is 223.97 g/mol.
Where can I buy 4-Bromoacetoxymethyl-m-dioxolane?
You can request a quote for 4-Bromoacetoxymethyl-m-dioxolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromoacetoxymethyl-m-dioxolane?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromoacetoxymethyl-m-dioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.