1,1,4,6,7-Pentamethylindan
TL;DR: 1,1,4,6,7-Pentamethylindan (CAS 6682-67-3) is a chemical compound with molecular formula C14H20 and molecular weight 188.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,4,5,7-pentamethyl-1,2-dihydroindene
Also Known As: 1,1,4,6,7-Pentamethylindan, 3,3,4,5,7-pentamethyl-1,2-dihydroindene, 1,1,4,6,7-pentamethyl-2,3-dihydro-1h-indene, 1H-Indene, 2,3-dihydro-1,1,4,6,7-pentamethyl, 1H-Indene,2,3-dihydro-1,1,4,6,7-pentamethyl
| Molecular Formula | C14H20 |
|---|---|
| Molecular Weight | 188.16 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.1565 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 6682-67-3 |
|---|---|
| SMILES | CC1=CC(=C2CCC(C2=C1C)(C)C)C |
| InChIKey | DKEQNICHDTZGAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,4,6,7-Pentamethylindan (CAS 6682-67-3), with molecular formula C14H20 and molecular weight 188.16 g/mol. IUPAC: 3,3,4,5,7-pentamethyl-1,2-dihydroindene.
Chemical Property Profile of 1,1,4,6,7-Pentamethylindan
Property Insights of 1,1,4,6,7-Pentamethylindan
The XLogP value of 4.7 indicates that 1,1,4,6,7-Pentamethylindan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,4,6,7-Pentamethylindan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,4,6,7-Pentamethylindan 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 1,1,4,6,7-Pentamethylindan?
The CAS number of 1,1,4,6,7-Pentamethylindan is 6682-67-3.
What is the molecular formula of 1,1,4,6,7-Pentamethylindan?
The molecular formula of 1,1,4,6,7-Pentamethylindan is C14H20.
What is the molecular weight of 1,1,4,6,7-Pentamethylindan?
The molecular weight of 1,1,4,6,7-Pentamethylindan is 188.16 g/mol.
Where can I buy 1,1,4,6,7-Pentamethylindan?
You can request a quote for 1,1,4,6,7-Pentamethylindan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,4,6,7-Pentamethylindan?
Yes, KEHONG BIO provides custom synthesis services for 1,1,4,6,7-Pentamethylindan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.