1-tert-Butyl-1H-indene
TL;DR: 1-tert-Butyl-1H-indene (CAS 40650-31-5) is a chemical compound with molecular formula C13H16 and molecular weight 172.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-1H-indene
Also Known As: 1-tert-Butyl-1H-indene, 1-t-Butyl-1H-indene, 1-(tert-Butyl)-1H-indene, t-butyl-indene, 1-t-butylindene
| Molecular Formula | C13H16 |
|---|---|
| Molecular Weight | 172.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.1252 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 40650-31-5 |
|---|---|
| SMILES | CC(C)(C)C1C=CC2=CC=CC=C12 |
| InChIKey | IHHBPJRQKRVWAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-tert-Butyl-1H-indene (CAS 40650-31-5), with molecular formula C13H16 and molecular weight 172.13 g/mol. IUPAC: 1-tert-butyl-1H-indene.
Chemical Property Profile of 1-tert-Butyl-1H-indene
Property Insights of 1-tert-Butyl-1H-indene
The XLogP value of 4.2 indicates that 1-tert-Butyl-1H-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, 1-tert-Butyl-1H-indene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butyl-1H-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 1-tert-Butyl-1H-indene?
The CAS number of 1-tert-Butyl-1H-indene is 40650-31-5.
What is the molecular formula of 1-tert-Butyl-1H-indene?
The molecular formula of 1-tert-Butyl-1H-indene is C13H16.
What is the molecular weight of 1-tert-Butyl-1H-indene?
The molecular weight of 1-tert-Butyl-1H-indene is 172.13 g/mol.
Where can I buy 1-tert-Butyl-1H-indene?
You can request a quote for 1-tert-Butyl-1H-indene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butyl-1H-indene?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl-1H-indene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.