1,2,3-Trimethylindene
TL;DR: 1,2,3-Trimethylindene (CAS 4773-83-5) is a chemical compound with molecular formula C12H14 and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trimethyl-1H-indene
Also Known As: 1,2,3-Trimethylindene, trimethylindene, 1,2,3-Trimethyl-1H-indene, indene, 1,2,3-trimethyl, 1H-Indene, 1,2,3-trimethyl-
| Molecular Formula | C12H14 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.10954 |
| Heavy Atoms | 12 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 4773-83-5 |
|---|---|
| SMILES | CC1C(=C(C2=CC=CC=C12)C)C |
| InChIKey | NPXPQDMZVKFLKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Trimethylindene (CAS 4773-83-5), with molecular formula C12H14 and molecular weight 158.11 g/mol. IUPAC: 1,2,3-trimethyl-1H-indene.
Chemical Property Profile of 1,2,3-Trimethylindene
Property Insights of 1,2,3-Trimethylindene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Trimethylindene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,3-Trimethylindene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Trimethylindene 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 1,2,3-Trimethylindene?
The CAS number of 1,2,3-Trimethylindene is 4773-83-5.
What is the molecular formula of 1,2,3-Trimethylindene?
The molecular formula of 1,2,3-Trimethylindene is C12H14.
What is the molecular weight of 1,2,3-Trimethylindene?
The molecular weight of 1,2,3-Trimethylindene is 158.11 g/mol.
Where can I buy 1,2,3-Trimethylindene?
You can request a quote for 1,2,3-Trimethylindene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Trimethylindene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Trimethylindene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.