rel-(3aR,7aS)-Octahydro-1H-indene
TL;DR: rel-(3aR,7aS)-Octahydro-1H-indene (CAS 59042-50-1) 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.
(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
Also Known As: cis-hydrindane, cis-Hydrindan, cis-Hexahydroindan, cis-Perhydroindene, cis-Bicyclo[4.3.0]Nonane
| Molecular Formula | C9H16 |
|---|---|
| Molecular Weight | 124.13 g/mol |
| LogP | 4.1 |
| 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 | 84.0 |
Chemical Identifiers
| CAS Number | 59042-50-1 |
|---|---|
| SMILES | C1CC[C@H]2CCC[C@H]2C1 |
| InChIKey | BNRNAKTVFSZAFA-DTORHVGOSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
rel-(3aR,7aS)-Octahydro-1H-indene (CAS 59042-50-1), with molecular formula C9H16 and molecular weight 124.13 g/mol. IUPAC: (3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
Chemical Property Profile of rel-(3aR,7aS)-Octahydro-1H-indene
Property Insights of rel-(3aR,7aS)-Octahydro-1H-indene
The XLogP value of 4.1 indicates that rel-(3aR,7aS)-Octahydro-1H-indene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, rel-(3aR,7aS)-Octahydro-1H-indene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-(3aR,7aS)-Octahydro-1H-indene 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 rel-(3aR,7aS)-Octahydro-1H-indene?
The CAS number of rel-(3aR,7aS)-Octahydro-1H-indene is 59042-50-1.
What is the molecular formula of rel-(3aR,7aS)-Octahydro-1H-indene?
The molecular formula of rel-(3aR,7aS)-Octahydro-1H-indene is C9H16.
What is the molecular weight of rel-(3aR,7aS)-Octahydro-1H-indene?
The molecular weight of rel-(3aR,7aS)-Octahydro-1H-indene is 124.13 g/mol.
Where can I buy rel-(3aR,7aS)-Octahydro-1H-indene?
You can request a quote for rel-(3aR,7aS)-Octahydro-1H-indene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-(3aR,7aS)-Octahydro-1H-indene?
Yes, KEHONG BIO provides custom synthesis services for rel-(3aR,7aS)-Octahydro-1H-indene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.