2,3,3a,4,7,7a-Hexahydro-1H-indene
TL;DR: 2,3,3a,4,7,7a-Hexahydro-1H-indene (CAS 16613-73-3) is a chemical compound with molecular formula C9H14 and molecular weight 122.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3a,4,7,7a-hexahydro-1H-indene
Also Known As: 2,3,3a,4,7,7a-Hexahydro-1H-indene, cis-Bicyclo[4.3.0]-3-nonene, 1H-Indene,2,3,3a,4,7,7a-hexahydro, 2,3,3a,4,7,7a-hexahydro-1h-in-dene, 1H-Indene, 2,3,3a,4,7,7a-hexahydro-
| Molecular Formula | C9H14 |
|---|---|
| Molecular Weight | 122.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.10955 |
| Heavy Atoms | 9 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 16613-73-3 |
|---|---|
| SMILES | C1CC2CC=CCC2C1 |
| InChIKey | UZURTQHPMXADGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,3a,4,7,7a-Hexahydro-1H-indene (CAS 16613-73-3), with molecular formula C9H14 and molecular weight 122.11 g/mol. IUPAC: 2,3,3a,4,7,7a-hexahydro-1H-indene.
Chemical Property Profile of 2,3,3a,4,7,7a-Hexahydro-1H-indene
Property Insights of 2,3,3a,4,7,7a-Hexahydro-1H-indene
The XLogP value of 3.3 indicates that 2,3,3a,4,7,7a-Hexahydro-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, 2,3,3a,4,7,7a-Hexahydro-1H-indene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,3a,4,7,7a-Hexahydro-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 2,3,3a,4,7,7a-Hexahydro-1H-indene?
The CAS number of 2,3,3a,4,7,7a-Hexahydro-1H-indene is 16613-73-3.
What is the molecular formula of 2,3,3a,4,7,7a-Hexahydro-1H-indene?
The molecular formula of 2,3,3a,4,7,7a-Hexahydro-1H-indene is C9H14.
What is the molecular weight of 2,3,3a,4,7,7a-Hexahydro-1H-indene?
The molecular weight of 2,3,3a,4,7,7a-Hexahydro-1H-indene is 122.11 g/mol.
Where can I buy 2,3,3a,4,7,7a-Hexahydro-1H-indene?
You can request a quote for 2,3,3a,4,7,7a-Hexahydro-1H-indene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,3a,4,7,7a-Hexahydro-1H-indene?
Yes, KEHONG BIO provides custom synthesis services for 2,3,3a,4,7,7a-Hexahydro-1H-indene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.