Hexahydro-1,3-benzodioxol-2-one
TL;DR: Hexahydro-1,3-benzodioxol-2-one (CAS 4389-22-4) is a chemical compound with molecular formula C7H10O3 and molecular weight 142.06 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-benzodioxol-2-one
Also Known As: Hexahydro-1,3-benzodioxol-2-one, hexahydro-1,3-dioxaindan-2-one, ZERO/003086, 1,3-Benzodioxol-2-one, hexahydro-, hexahydro-2H-1,3-benzodioxol-2-one
| Molecular Formula | C7H10O3 |
|---|---|
| Molecular Weight | 142.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.06299 |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 4389-22-4 |
|---|---|
| SMILES | C1CCC2C(C1)OC(=O)O2 |
| InChIKey | WQVFVJFUDNRICW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexahydro-1,3-benzodioxol-2-one (CAS 4389-22-4), with molecular formula C7H10O3 and molecular weight 142.06 g/mol. IUPAC: 3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-2-one.
Chemical Property Profile of Hexahydro-1,3-benzodioxol-2-one
Property Insights of Hexahydro-1,3-benzodioxol-2-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-1,3-benzodioxol-2-one. With a topological polar surface area (TPSA) of 35.5 Ų, Hexahydro-1,3-benzodioxol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-1,3-benzodioxol-2-one has 0 hydrogen bond donor(s) and 3 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-benzodioxol-2-one?
The CAS number of Hexahydro-1,3-benzodioxol-2-one is 4389-22-4.
What is the molecular formula of Hexahydro-1,3-benzodioxol-2-one?
The molecular formula of Hexahydro-1,3-benzodioxol-2-one is C7H10O3.
What is the molecular weight of Hexahydro-1,3-benzodioxol-2-one?
The molecular weight of Hexahydro-1,3-benzodioxol-2-one is 142.06 g/mol.
Where can I buy Hexahydro-1,3-benzodioxol-2-one?
You can request a quote for Hexahydro-1,3-benzodioxol-2-one 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-benzodioxol-2-one?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-1,3-benzodioxol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.