Ineketone
TL;DR: Ineketone (CAS 67130-91-0) is a chemical compound with molecular formula C20H30O3 and molecular weight 318.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,4bS,5S,7S,10aR)-7-ethenyl-5,10a-dihydroxy-1,1,4b,7-tetramethyl-3,4,4a,5,6,10-hexahydro-2H-phenanthren-9-one
Also Known As: Ineketone, KST-1A7390, 5,11-Dihydroxyrosa-8(14),15-dien-7-one, (5, A,11
| Molecular Formula | C20H30O3 |
|---|---|
| Molecular Weight | 318.22 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.21948 |
| Heavy Atoms | 23 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 67130-91-0 |
|---|---|
| SMILES | C[C@]1(C[C@@H]([C@]2([C@@H]3CCCC([C@]3(CC(=O)C2=C1)O)(C)C)C)O)C=C |
| InChIKey | BWRPYSJNBVBIRP-FLFBIERCSA-N |
Product Overview
Ineketone (CAS 67130-91-0), with molecular formula C20H30O3 and molecular weight 318.22 g/mol. IUPAC: (4aS,4bS,5S,7S,10aR)-7-ethenyl-5,10a-dihydroxy-1,1,4b,7-tetramethyl-3,4,4a,5,6,10-hexahydro-2H-phenanthren-9-one.
Chemical Property Profile of Ineketone
Property Insights of Ineketone
The XLogP value of 3.5 indicates that Ineketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Ineketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ineketone has 2 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 Ineketone?
The CAS number of Ineketone is 67130-91-0.
What is the molecular formula of Ineketone?
The molecular formula of Ineketone is C20H30O3.
What is the molecular weight of Ineketone?
The molecular weight of Ineketone is 318.22 g/mol.
Where can I buy Ineketone?
You can request a quote for Ineketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ineketone?
Yes, KEHONG BIO provides custom synthesis services for Ineketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.