1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)-
TL;DR: 1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)- (CAS 4405-18-9) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-dioxolan-2-yl)-1,3-benzodioxole
Also Known As: 5-(1,3-Dioxolan-2-yl)benzo-1,3-dioxole, 1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)-, 5-(1,3-Dioxolan-2-yl)-1,3-benzodioxole, 5-(1,3-Dioxolan-2-yl)benzo[d][1,3]dioxole, 5-(1,3-DIOXOLAN-2-YL)-2H-1,3-BENZODIOXOLE
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 4405-18-9 |
|---|---|
| SMILES | C1COC(O1)C2=CC3=C(C=C2)OCO3 |
| InChIKey | VKRLFWZYZOPSHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)- (CAS 4405-18-9), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 5-(1,3-dioxolan-2-yl)-1,3-benzodioxole.
Chemical Property Profile of 1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)-
Property Insights of 1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)-. With a topological polar surface area (TPSA) of 36.9 Ų, 1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)- 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 1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)-?
The CAS number of 1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)- is 4405-18-9.
What is the molecular formula of 1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)-?
The molecular formula of 1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)- is C10H10O4.
What is the molecular weight of 1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)-?
The molecular weight of 1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)- is 194.06 g/mol.
Where can I buy 1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)-?
You can request a quote for 1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 5-(1,3-dioxolan-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.