3,3,5,6-Tetramethyl-1-indanone
TL;DR: 3,3,5,6-Tetramethyl-1-indanone (CAS 54789-22-9) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,5,6-tetramethyl-2H-inden-1-one
Also Known As: 3,3,5,6-Tetramethyl-1-indanone, 3,3,5,6-tetramethyl-2H-inden-1-one, 3,3,5,6-Tetramethylindan-1-one, 3,3,5,6-Tetramethyl-indan-1-one, 3,3,5,6-Tetramethyl-1-indanone #
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 54789-22-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)C(CC2=O)(C)C |
| InChIKey | BXABKFVJTUQBMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,5,6-Tetramethyl-1-indanone (CAS 54789-22-9), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: 3,3,5,6-tetramethyl-2H-inden-1-one.
Chemical Property Profile of 3,3,5,6-Tetramethyl-1-indanone
Property Insights of 3,3,5,6-Tetramethyl-1-indanone
The XLogP value of 3.3 indicates that 3,3,5,6-Tetramethyl-1-indanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3,3,5,6-Tetramethyl-1-indanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,5,6-Tetramethyl-1-indanone has 0 hydrogen bond donor(s) and 1 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 3,3,5,6-Tetramethyl-1-indanone?
The CAS number of 3,3,5,6-Tetramethyl-1-indanone is 54789-22-9.
What is the molecular formula of 3,3,5,6-Tetramethyl-1-indanone?
The molecular formula of 3,3,5,6-Tetramethyl-1-indanone is C13H16O.
What is the molecular weight of 3,3,5,6-Tetramethyl-1-indanone?
The molecular weight of 3,3,5,6-Tetramethyl-1-indanone is 188.12 g/mol.
Where can I buy 3,3,5,6-Tetramethyl-1-indanone?
You can request a quote for 3,3,5,6-Tetramethyl-1-indanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,5,6-Tetramethyl-1-indanone?
Yes, KEHONG BIO provides custom synthesis services for 3,3,5,6-Tetramethyl-1-indanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.