5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole
TL;DR: 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole (CAS 24404-99-7) is a chemical compound with molecular formula C10H9BrO4 and molecular weight 271.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole
Also Known As: 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole, 1,3-Benzodioxole,5-bromo-6-(1,3-dioxolan-2-yl)-, J2.027.516B, 1,3-Benzodioxole, 5-bromo-6-(1,3-dioxolan-2-yl)-, 2-(2H-Pyran-4(3H,5H,6H)-ylidene)malononitrile
| Molecular Formula | C10H9BrO4 |
|---|---|
| Molecular Weight | 271.97 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.9684 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 24404-99-7 |
|---|---|
| SMILES | C1COC(O1)C2=CC3=C(C=C2Br)OCO3 |
| InChIKey | PVYUTFBRTJGJMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole (CAS 24404-99-7), with molecular formula C10H9BrO4 and molecular weight 271.97 g/mol. IUPAC: 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole.
Chemical Property Profile of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole
Property Insights of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole. With a topological polar surface area (TPSA) of 36.9 Ų, 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole 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 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole?
The CAS number of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole is 24404-99-7.
What is the molecular formula of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole?
The molecular formula of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole is C10H9BrO4.
What is the molecular weight of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole?
The molecular weight of 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole is 271.97 g/mol.
Where can I buy 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole?
You can request a quote for 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-6-(1,3-dioxolan-2-yl)-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.