1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)-
TL;DR: 1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)- (CAS 53446-63-2) 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.
2-propan-2-yl-2,3-dihydroinden-1-one
Also Known As: 2-Isopropylindan-1-one, 2-Isopropyl-1-indanone, isopropyl indanone, 2-propan-2-yl-2,3-dihydroinden-1-one, 2 - isopropylindan - 1 - one
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 53446-63-2 |
|---|---|
| SMILES | CC(C)C1CC2=CC=CC=C2C1=O |
| InChIKey | WBCAKNRIXCUKPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)- (CAS 53446-63-2), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: 2-propan-2-yl-2,3-dihydroinden-1-one.
Chemical Property Profile of 1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)-
Property Insights of 1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)-
The XLogP value of 3.0 indicates that 1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)- 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 1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)-?
The CAS number of 1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)- is 53446-63-2.
What is the molecular formula of 1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)-?
The molecular formula of 1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)- is C12H14O.
What is the molecular weight of 1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)-?
The molecular weight of 1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)- is 174.10 g/mol.
Where can I buy 1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)-?
You can request a quote for 1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.