3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene
TL;DR: 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene (CAS 97844-14-9) is a chemical compound with molecular formula C13H18 and molecular weight 174.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,4,7a-tetramethyl-5H-indene
Also Known As: 1,4,4,7a-tetramethyl-5H-indene, 4H-Indene, 5,7a-dihydro-1,4,4,7a-tetramethyl-, 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene, 5,7alpha-Dihydro-1,4,4,7a-tetramethyl-4H-indene, J2.368.968E
| Molecular Formula | C13H18 |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.14085 |
| Heavy Atoms | 13 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 97844-14-9 |
|---|---|
| SMILES | CC1=CC=C2C1(C=CCC2(C)C)C |
| InChIKey | XOFDOXJFXCEFDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene (CAS 97844-14-9), with molecular formula C13H18 and molecular weight 174.14 g/mol. IUPAC: 1,4,4,7a-tetramethyl-5H-indene.
Chemical Property Profile of 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene
Property Insights of 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene
The XLogP value of 3.7 indicates that 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-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, 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-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 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene?
The CAS number of 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene is 97844-14-9.
What is the molecular formula of 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene?
The molecular formula of 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene is C13H18.
What is the molecular weight of 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene?
The molecular weight of 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene is 174.14 g/mol.
Where can I buy 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene?
You can request a quote for 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene?
Yes, KEHONG BIO provides custom synthesis services for 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.