Octahydroisobenzofuran
TL;DR: Octahydroisobenzofuran (CAS 10479-79-5) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
Also Known As: octahydroisobenzofuran, Octahydro-2-benzofuran, perhydroisobenzofuran, octahydroisobenzofurane, Octahydro-isobenzofuran
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 10479-79-5 |
|---|---|
| SMILES | C1CCC2COCC2C1 |
| InChIKey | HGQBCKVFVUCIML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octahydroisobenzofuran (CAS 10479-79-5), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran.
Chemical Property Profile of Octahydroisobenzofuran
Property Insights of Octahydroisobenzofuran
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octahydroisobenzofuran. With a topological polar surface area (TPSA) of 9.2 Ų, Octahydroisobenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydroisobenzofuran has 0 hydrogen bond donor(s) and 1 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 Octahydroisobenzofuran?
The CAS number of Octahydroisobenzofuran is 10479-79-5.
What is the molecular formula of Octahydroisobenzofuran?
The molecular formula of Octahydroisobenzofuran is C8H14O.
What is the molecular weight of Octahydroisobenzofuran?
The molecular weight of Octahydroisobenzofuran is 126.10 g/mol.
Where can I buy Octahydroisobenzofuran?
You can request a quote for Octahydroisobenzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydroisobenzofuran?
Yes, KEHONG BIO provides custom synthesis services for Octahydroisobenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.