Cnicin
TL;DR: Cnicin (CAS 24394-09-0) is a chemical compound with molecular formula C20H26O7 and molecular weight 378.16785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 3,4-dihydroxy-2-methylidenebutanoate
Also Known As: Cnicin, Centaurin, [10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 3,4-dihydroxy-2-methylidenebutanoate
Technical Specifications
| Molecular Formula | C20H26O7 |
| Molecular Weight | 378.16785 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.16785 Da |
| Heavy Atoms | 27 |
| Complexity | 688.0 |
| SMILES | CC1=CCCC(=CC2C(C(C1)OC(=O)C(=C)C(CO)O)C(=C)C(=O)O2)CO |
| InChIKey | ZTDFZLVUIVPZDU-UHFFFAOYSA-N |
Chemical Property Profile of Cnicin
Property Insights of Cnicin
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cnicin. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cnicin. Following Lipinski's Rule of Five, Cnicin has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cnicin?
The CAS number of Cnicin is 24394-09-0.
What is the molecular formula of Cnicin?
The molecular formula of Cnicin is C20H26O7.
What is the molecular weight of Cnicin?
The molecular weight of Cnicin is 378.16785 g/mol.
Where can I buy Cnicin?
You can request a quote for Cnicin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cnicin?
Yes, CoreyChem provides custom synthesis services for Cnicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.