Octahydro-1-methylpentalene
TL;DR: Octahydro-1-methylpentalene (CAS 32273-77-1) is a chemical compound with molecular formula C9H16 and molecular weight 124.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
Also Known As: 1-Methyloctahydropentalene, OCTAHYDRO-1-METHYLPENTALENE, Pentalene, octahydro-1-methyl-, Pentalene, octahydromethyl-, 1-Methyloctahydropentalene #
| Molecular Formula | C9H16 |
|---|---|
| Molecular Weight | 124.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.1252 |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 32273-77-1 |
|---|---|
| SMILES | CC1CCC2C1CCC2 |
| InChIKey | XWDLMQDCTIPQFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octahydro-1-methylpentalene (CAS 32273-77-1), with molecular formula C9H16 and molecular weight 124.13 g/mol. IUPAC: 1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene.
Chemical Property Profile of Octahydro-1-methylpentalene
Property Insights of Octahydro-1-methylpentalene
The XLogP value of 3.8 indicates that Octahydro-1-methylpentalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Octahydro-1-methylpentalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydro-1-methylpentalene has 0 hydrogen bond donor(s) and 0 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-methylpentalene?
The CAS number of Octahydro-1-methylpentalene is 32273-77-1.
What is the molecular formula of Octahydro-1-methylpentalene?
The molecular formula of Octahydro-1-methylpentalene is C9H16.
What is the molecular weight of Octahydro-1-methylpentalene?
The molecular weight of Octahydro-1-methylpentalene is 124.13 g/mol.
Where can I buy Octahydro-1-methylpentalene?
You can request a quote for Octahydro-1-methylpentalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydro-1-methylpentalene?
Yes, KEHONG BIO provides custom synthesis services for Octahydro-1-methylpentalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.