INOCOTERONE ACETATE
TL;DR: INOCOTERONE ACETATE (CAS 83646-86-0) is a chemical compound with molecular formula C18H26O3 and molecular weight 290.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aS,9aS,9bS)-6-ethyl-3a-methyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl] acetate
Also Known As: INOCOTERONE ACETATE, Inocoterona, ino-coterone acetate, INOCOTERONE, Inocoterone acetate [USAN]
| Molecular Formula | C18H26O3 |
|---|---|
| Molecular Weight | 290.19 g/mol |
| LogP | 3.8139 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.1882 |
| Heavy Atoms | 21 |
| Complexity | 504.59283 |
Chemical Identifiers
| CAS Number | 83646-86-0 |
|---|---|
| SMILES | CCC1=C2CC[C@]3([C@H]([C@@H]2CCC1=O)CC[C@@H]3OC(=O)C)C |
Product Overview
INOCOTERONE ACETATE (CAS 83646-86-0), with molecular formula C18H26O3 and molecular weight 290.19 g/mol. IUPAC: [(3S,3aS,9aS,9bS)-6-ethyl-3a-methyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl] acetate.
Chemical Property Profile of INOCOTERONE ACETATE
Property Insights of INOCOTERONE ACETATE
The XLogP value of 3.8139 indicates that INOCOTERONE ACETATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, INOCOTERONE ACETATE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, INOCOTERONE ACETATE 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 INOCOTERONE ACETATE?
The CAS number of INOCOTERONE ACETATE is 83646-86-0.
What is the molecular formula of INOCOTERONE ACETATE?
The molecular formula of INOCOTERONE ACETATE is C18H26O3.
What is the molecular weight of INOCOTERONE ACETATE?
The molecular weight of INOCOTERONE ACETATE is 290.19 g/mol.
Where can I buy INOCOTERONE ACETATE?
You can request a quote for INOCOTERONE ACETATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for INOCOTERONE ACETATE?
Yes, KEHONG BIO provides custom synthesis services for INOCOTERONE ACETATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.