Isoshinanolone
TL;DR: Isoshinanolone (CAS 39626-91-0) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-4,8-dihydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one
Also Known As: Isoshinanolone, Shinanolone, cis-Isoshinanolon, (+)-Cis-Isoshinanolone, 1-epineo-isoshinanolone
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 39626-91-0 |
|---|---|
| SMILES | C[C@@H]1CC(=O)C2=C([C@@H]1O)C=CC=C2O |
| InChIKey | YUPNHTWYVBHLMG-KSBSHMNSSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoshinanolone (CAS 39626-91-0), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: (3R,4R)-4,8-dihydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of Isoshinanolone
Property Insights of Isoshinanolone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoshinanolone. With a topological polar surface area (TPSA) of 57.5 Ų, Isoshinanolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoshinanolone 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 Isoshinanolone?
The CAS number of Isoshinanolone is 39626-91-0.
What is the molecular formula of Isoshinanolone?
The molecular formula of Isoshinanolone is C11H12O3.
What is the molecular weight of Isoshinanolone?
The molecular weight of Isoshinanolone is 192.08 g/mol.
Where can I buy Isoshinanolone?
You can request a quote for Isoshinanolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoshinanolone?
Yes, KEHONG BIO provides custom synthesis services for Isoshinanolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.