Indenestrol diacetate
TL;DR: Indenestrol diacetate (CAS 2879-78-9) 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.
[4-(6-acetyloxy-3-ethyl-1-methyl-1H-inden-2-yl)phenyl] acetate
Also Known As: Klimoestrol, Indenestrol diacetate, Indenoestrol, 2-(4-Acetoxyphenyl)-3-ethyl-1-methyl-6-indenyl acetat, 3-Ethyl-2-(p-hydroxyphenyl)-1-methylindene-6-ol diacetate
| 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 | 571.0 |
Chemical Identifiers
| CAS Number | 2879-78-9 |
|---|---|
| SMILES | CCC1=C(C(C2=C1C=CC(=C2)OC(=O)C)C)C3=CC=C(C=C3)OC(=O)C |
| InChIKey | NXGLCYKRNZCWKF-UHFFFAOYSA-N |
Product Overview
Indenestrol diacetate (CAS 2879-78-9), with molecular formula C22H22O4 and molecular weight 350.15 g/mol. IUPAC: [4-(6-acetyloxy-3-ethyl-1-methyl-1H-inden-2-yl)phenyl] acetate.
Chemical Property Profile of Indenestrol diacetate
Property Insights of Indenestrol diacetate
The XLogP value of 4.1 indicates that Indenestrol diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Indenestrol diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indenestrol diacetate 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 Indenestrol diacetate?
The CAS number of Indenestrol diacetate is 2879-78-9.
What is the molecular formula of Indenestrol diacetate?
The molecular formula of Indenestrol diacetate is C22H22O4.
What is the molecular weight of Indenestrol diacetate?
The molecular weight of Indenestrol diacetate is 350.15 g/mol.
Where can I buy Indenestrol diacetate?
You can request a quote for Indenestrol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indenestrol diacetate?
Yes, KEHONG BIO provides custom synthesis services for Indenestrol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.