Hexahydro-4h-1,3-benzodioxine
TL;DR: Hexahydro-4h-1,3-benzodioxine (CAS 13309-99-4) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
Also Known As: 1,3-dioxadecalin, hexahydro-4h-1,3-benzodioxine, 1, hexahydro-, trans-, C12COCOC1CCCC2, octahydro-1,3-benzodioxine
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 13309-99-4 |
|---|---|
| SMILES | C1CCC2C(C1)COCO2 |
| InChIKey | HCKOFNAZWWTBQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexahydro-4h-1,3-benzodioxine (CAS 13309-99-4), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: 4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine.
Chemical Property Profile of Hexahydro-4h-1,3-benzodioxine
Property Insights of Hexahydro-4h-1,3-benzodioxine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-4h-1,3-benzodioxine. With a topological polar surface area (TPSA) of 18.5 Ų, Hexahydro-4h-1,3-benzodioxine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-4h-1,3-benzodioxine 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-4h-1,3-benzodioxine?
The CAS number of Hexahydro-4h-1,3-benzodioxine is 13309-99-4.
What is the molecular formula of Hexahydro-4h-1,3-benzodioxine?
The molecular formula of Hexahydro-4h-1,3-benzodioxine is C8H14O2.
What is the molecular weight of Hexahydro-4h-1,3-benzodioxine?
The molecular weight of Hexahydro-4h-1,3-benzodioxine is 142.10 g/mol.
Where can I buy Hexahydro-4h-1,3-benzodioxine?
You can request a quote for Hexahydro-4h-1,3-benzodioxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-4h-1,3-benzodioxine?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-4h-1,3-benzodioxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.