Hexahydro-1,3-benzodioxole
TL;DR: Hexahydro-1,3-benzodioxole (CAS 932-42-3) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole
Also Known As: hexahydro-1,3-benzodioxole, hexahydro-2H-1,3-benzodioxole, 7,9-dioxabicyclo[4.3.0]nonane, 3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole, (3aR*,7aR*)-Hexahydro-1,3-benzodioxole
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 932-42-3 |
|---|---|
| SMILES | C1CCC2C(C1)OCO2 |
| InChIKey | TYSYUUIDELSMQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexahydro-1,3-benzodioxole (CAS 932-42-3), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole.
Chemical Property Profile of Hexahydro-1,3-benzodioxole
Property Insights of Hexahydro-1,3-benzodioxole
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-1,3-benzodioxole. With a topological polar surface area (TPSA) of 18.5 Ų, Hexahydro-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-1,3-benzodioxole 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 Hexahydro-1,3-benzodioxole?
The CAS number of Hexahydro-1,3-benzodioxole is 932-42-3.
What is the molecular formula of Hexahydro-1,3-benzodioxole?
The molecular formula of Hexahydro-1,3-benzodioxole is C7H12O2.
What is the molecular weight of Hexahydro-1,3-benzodioxole?
The molecular weight of Hexahydro-1,3-benzodioxole is 128.08 g/mol.
Where can I buy Hexahydro-1,3-benzodioxole?
You can request a quote for Hexahydro-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 Hexahydro-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.