Octahydro-1-benzofuran
TL;DR: Octahydro-1-benzofuran (CAS 10198-29-5) 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.
2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
Also Known As: octahydrobenzofuran, perhydrobenzofuran, Octahydro-1-benzofuran, Benzofuran, octahydro-, cis-, cis-7-Oxabicyclo[4.3.0]nonane
| 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 | 101.0 |
Chemical Identifiers
| CAS Number | 10198-29-5 |
|---|---|
| SMILES | C1CCC2C(C1)CCO2 |
| InChIKey | DNZWAKVIOXCEHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octahydro-1-benzofuran (CAS 10198-29-5), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran.
Chemical Property Profile of Octahydro-1-benzofuran
Property Insights of Octahydro-1-benzofuran
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octahydro-1-benzofuran. With a topological polar surface area (TPSA) of 9.2 Ų, Octahydro-1-benzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydro-1-benzofuran 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 Octahydro-1-benzofuran?
The CAS number of Octahydro-1-benzofuran is 10198-29-5.
What is the molecular formula of Octahydro-1-benzofuran?
The molecular formula of Octahydro-1-benzofuran is C8H14O.
What is the molecular weight of Octahydro-1-benzofuran?
The molecular weight of Octahydro-1-benzofuran is 126.10 g/mol.
Where can I buy Octahydro-1-benzofuran?
You can request a quote for Octahydro-1-benzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydro-1-benzofuran?
Yes, KEHONG BIO provides custom synthesis services for Octahydro-1-benzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.