Octahydropentalenol
TL;DR: Octahydropentalenol (CAS 37465-25-1) 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.
1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol
Also Known As: Octahydropentalenol, Octahydropentalen-1-ol, Octahydro-1-pentalenol, Octahydropentalene-1-ol, Octahydro-1-pentalenol #
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 37465-25-1 |
|---|---|
| SMILES | C1CC2CCC(C2C1)O |
| InChIKey | AOONMBCPMGBOBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octahydropentalenol (CAS 37465-25-1), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol.
Chemical Property Profile of Octahydropentalenol
Property Insights of Octahydropentalenol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octahydropentalenol. With a topological polar surface area (TPSA) of 20.2 Ų, Octahydropentalenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydropentalenol has 1 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 Octahydropentalenol?
The CAS number of Octahydropentalenol is 37465-25-1.
What is the molecular formula of Octahydropentalenol?
The molecular formula of Octahydropentalenol is C8H14O.
What is the molecular weight of Octahydropentalenol?
The molecular weight of Octahydropentalenol is 126.10 g/mol.
Where can I buy Octahydropentalenol?
You can request a quote for Octahydropentalenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydropentalenol?
Yes, KEHONG BIO provides custom synthesis services for Octahydropentalenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.