Illudiolone
TL;DR: Illudiolone (CAS 489420-89-5) is a chemical compound with molecular formula C15H24O3 and molecular weight 252.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2aR,3R,4aS,6S,7aS,7bR)-3-hydroxy-6-(hydroxymethyl)-3,6,7b-trimethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-one
Also Known As: Illudiolone, J1.832.182C, (2aR,3R,4aS,6S,7aS,7bR)-3-hydroxy-6-(hydroxymethyl)-3,6,7b-trimethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-one, 3-Hydroxy-6-hydroxymethyl-3,6,7b-trimethyl-decahydro-cyclobuta[e]inden-4-one, (2aR)-2,2aalpha,4aalpha,5,6,7,7abeta,7b-Octahydro-3beta-hydroxy-6beta-(hydroxymethyl)-3,6,7balpha-trimethyl-1H-cyclobuta[e]indene-4(3H)-one
| Molecular Formula | C15H24O3 |
|---|---|
| Molecular Weight | 252.17 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.17255 |
| Heavy Atoms | 18 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 489420-89-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]1[C@@](C(=O)[C@@H]3[C@@H]2C[C@](C3)(C)CO)(C)O |
| InChIKey | HSASJPCIWZMQPM-PAUVFPHUSA-N |
Product Overview
Illudiolone (CAS 489420-89-5), with molecular formula C15H24O3 and molecular weight 252.17 g/mol. IUPAC: (2aR,3R,4aS,6S,7aS,7bR)-3-hydroxy-6-(hydroxymethyl)-3,6,7b-trimethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-one.
Chemical Property Profile of Illudiolone
Property Insights of Illudiolone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Illudiolone. With a topological polar surface area (TPSA) of 57.5 Ų, Illudiolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Illudiolone 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 Illudiolone?
The CAS number of Illudiolone is 489420-89-5.
What is the molecular formula of Illudiolone?
The molecular formula of Illudiolone is C15H24O3.
What is the molecular weight of Illudiolone?
The molecular weight of Illudiolone is 252.17 g/mol.
Where can I buy Illudiolone?
You can request a quote for Illudiolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Illudiolone?
Yes, KEHONG BIO provides custom synthesis services for Illudiolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.