Shizukanolide
TL;DR: Shizukanolide (CAS 70578-36-8) is a chemical compound with molecular formula C15H18O2 and molecular weight 230.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,7S,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-5-one
Also Known As: Shizukanolide, Shizukanolide A, CHLORANTHUS JAPONICUS SIEB, (1S,7S,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-5-one, (1S,7S,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo(7.4.0.03,7.010,12)tridec-3-en-5-one
| Molecular Formula | C15H18O2 |
|---|---|
| Molecular Weight | 230.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.13068 |
| Heavy Atoms | 17 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 70578-36-8 |
|---|---|
| SMILES | CC1=C2C[C@H]3C(=C)[C@H]4C[C@H]4[C@@]3(C[C@@H]2OC1=O)C |
| InChIKey | KCFCNCALMYTQMP-BJEMGHAFSA-N |
Product Overview
Shizukanolide (CAS 70578-36-8), with molecular formula C15H18O2 and molecular weight 230.13 g/mol. IUPAC: (1S,7S,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-5-one.
Chemical Property Profile of Shizukanolide
Property Insights of Shizukanolide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Shizukanolide. With a topological polar surface area (TPSA) of 26.3 Ų, Shizukanolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Shizukanolide has 0 hydrogen bond donor(s) and 2 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 Shizukanolide?
The CAS number of Shizukanolide is 70578-36-8.
What is the molecular formula of Shizukanolide?
The molecular formula of Shizukanolide is C15H18O2.
What is the molecular weight of Shizukanolide?
The molecular weight of Shizukanolide is 230.13 g/mol.
Where can I buy Shizukanolide?
You can request a quote for Shizukanolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Shizukanolide?
Yes, KEHONG BIO provides custom synthesis services for Shizukanolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.