2-Isopropyliden-indan-1-on
TL;DR: 2-Isopropyliden-indan-1-on (CAS 5706-17-2) is a chemical compound with molecular formula C32H31NO5 and molecular weight 509.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: 2-Isopropyliden-indan-1-on, 1H-Inden-1-one,2-[(4-chlorophenyl)methylene]-2,3-dihydro-, benzyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, benzyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, benzyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C32H31NO5 |
|---|---|
| Molecular Weight | 509.22 g/mol |
| LogP | 5.8959 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.2202 |
| Heavy Atoms | 38 |
| Complexity | 1408.2771 |
Chemical Identifiers
| CAS Number | 5706-17-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OCC5=CC=CC=C5)C)O |
Product Overview
2-Isopropyliden-indan-1-on (CAS 5706-17-2), with molecular formula C32H31NO5 and molecular weight 509.22 g/mol. IUPAC: benzyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of 2-Isopropyliden-indan-1-on
Property Insights of 2-Isopropyliden-indan-1-on
The XLogP value of 5.8959 indicates that 2-Isopropyliden-indan-1-on is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isopropyliden-indan-1-on. Following Lipinski's Rule of Five, 2-Isopropyliden-indan-1-on has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Isopropyliden-indan-1-on?
The CAS number of 2-Isopropyliden-indan-1-on is 5706-17-2.
What is the molecular formula of 2-Isopropyliden-indan-1-on?
The molecular formula of 2-Isopropyliden-indan-1-on is C32H31NO5.
What is the molecular weight of 2-Isopropyliden-indan-1-on?
The molecular weight of 2-Isopropyliden-indan-1-on is 509.22 g/mol.
Where can I buy 2-Isopropyliden-indan-1-on?
You can request a quote for 2-Isopropyliden-indan-1-on directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyliden-indan-1-on?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyliden-indan-1-on and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.