3-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate
TL;DR: 3-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate (CAS 83456-29-5) is a chemical compound with molecular formula C22H22O4 and molecular weight 350.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-acetyloxyphenyl)-3-ethyl-1-methyl-1H-inden-5-yl] acetate
Also Known As: 3-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate, [2-(3-acetyloxyphenyl)-3-ethyl-1-methyl-1H-inden-5-yl] acetate, [2-(3-acetyloxyphenyl)-3-ethyl-1-methyl-1H-inden-5-yl] aceta, [3-(5-acetoxy-3-ethyl-1-methyl-1H-inden-2-yl)phenyl] acetate
| Molecular Formula | C22H22O4 |
|---|---|
| Molecular Weight | 350.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.1518 |
| Heavy Atoms | 26 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 83456-29-5 |
|---|---|
| SMILES | CCC1=C(C(C2=C1C=C(C=C2)OC(=O)C)C)C3=CC(=CC=C3)OC(=O)C |
| InChIKey | GZZYUSVWJWADMH-UHFFFAOYSA-N |
Product Overview
3-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate (CAS 83456-29-5), with molecular formula C22H22O4 and molecular weight 350.15 g/mol. IUPAC: [2-(3-acetyloxyphenyl)-3-ethyl-1-methyl-1H-inden-5-yl] acetate.
Chemical Property Profile of 3-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate
Property Insights of 3-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate
The XLogP value of 4.1 indicates that 3-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate has 0 hydrogen bond donor(s) and 4 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-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate?
The CAS number of 3-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate is 83456-29-5.
What is the molecular formula of 3-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate?
The molecular formula of 3-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate is C22H22O4.
What is the molecular weight of 3-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate?
The molecular weight of 3-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate is 350.15 g/mol.
Where can I buy 3-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate?
You can request a quote for 3-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-(Acetyloxy)-3-ethyl-1-methyl-1H-inden-2-yl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.