3,4,7-Trimethyl-1-indanone
TL;DR: 3,4,7-Trimethyl-1-indanone (CAS 35322-84-0) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,7-trimethyl-2,3-dihydroinden-1-one
Also Known As: 3,4,7-Trimethyl-1-indanone, 1-Indanone, 3,4,7-trimethyl-, 3,4,7-trimethylindan-1-one, 3,4,7-Tetramethyl-alpha-indanone, 1H-Inden-1-one, 2,3-dihydro-3,4,7-trimethyl-
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 35322-84-0 |
|---|---|
| SMILES | CC1CC(=O)C2=C(C=CC(=C12)C)C |
| InChIKey | FSBIQEDMEKAAMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,7-Trimethyl-1-indanone (CAS 35322-84-0), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: 3,4,7-trimethyl-2,3-dihydroinden-1-one.
Chemical Property Profile of 3,4,7-Trimethyl-1-indanone
Property Insights of 3,4,7-Trimethyl-1-indanone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,7-Trimethyl-1-indanone. With a topological polar surface area (TPSA) of 17.1 Ų, 3,4,7-Trimethyl-1-indanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,7-Trimethyl-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 3,4,7-Trimethyl-1-indanone?
The CAS number of 3,4,7-Trimethyl-1-indanone is 35322-84-0.
What is the molecular formula of 3,4,7-Trimethyl-1-indanone?
The molecular formula of 3,4,7-Trimethyl-1-indanone is C12H14O.
What is the molecular weight of 3,4,7-Trimethyl-1-indanone?
The molecular weight of 3,4,7-Trimethyl-1-indanone is 174.10 g/mol.
Where can I buy 3,4,7-Trimethyl-1-indanone?
You can request a quote for 3,4,7-Trimethyl-1-indanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,7-Trimethyl-1-indanone?
Yes, KEHONG BIO provides custom synthesis services for 3,4,7-Trimethyl-1-indanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.