6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one
TL;DR: 6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one (CAS 40698-67-7) is a chemical compound with molecular formula C16H18O3 and molecular weight 258.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,6-trimethyl-3-oxoinden-5-yl)ethyl acetate
Also Known As: Acetyldehydropterosin B, Dehydropterosin B acetate, Acetyl-delta2-dehydropterosin B, 6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one, 2-(2,4,6-trimethyl-3-oxoinden-5-yl)ethyl acetate
| Molecular Formula | C16H18O3 |
|---|---|
| Molecular Weight | 258.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.12558 |
| Heavy Atoms | 19 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 40698-67-7 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1CCOC(=O)C)C)C(=O)C(=C2)C |
| InChIKey | XPWAPSSAUWHDQE-UHFFFAOYSA-N |
Product Overview
6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one (CAS 40698-67-7), with molecular formula C16H18O3 and molecular weight 258.13 g/mol. IUPAC: 2-(2,4,6-trimethyl-3-oxoinden-5-yl)ethyl acetate.
Chemical Property Profile of 6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one
Property Insights of 6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one
The XLogP value of 3.2 indicates that 6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one has 0 hydrogen bond donor(s) and 3 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 6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one?
The CAS number of 6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one is 40698-67-7.
What is the molecular formula of 6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one?
The molecular formula of 6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one is C16H18O3.
What is the molecular weight of 6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one?
The molecular weight of 6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one is 258.13 g/mol.
Where can I buy 6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one?
You can request a quote for 6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-(Acetyloxy)ethyl)-2,5,7-trimethyl-1H-inden-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.