Canarigenin
TL;DR: Canarigenin (CAS 1778-88-7) is a chemical compound with molecular formula C23H32O4 and molecular weight 372.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,8R,9S,10R,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Canarigenin, Digitoxigenin-4-en, 3,14-dihydroxy-3, A-carda-4,20(22)-dienolide, 3b,14b-dihydroxycarda-4,20(22)-dienolid
| Molecular Formula | C23H32O4 |
|---|---|
| Molecular Weight | 372.23 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 372.23007 |
| Heavy Atoms | 27 |
| Complexity | 739.0 |
Chemical Identifiers
| CAS Number | 1778-88-7 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O |
| InChIKey | UVVGWNHIKZRQLP-MITUEXOSSA-N |
Product Overview
Canarigenin (CAS 1778-88-7), with molecular formula C23H32O4 and molecular weight 372.23 g/mol. IUPAC: 3-[(3S,8R,9S,10R,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Canarigenin
Property Insights of Canarigenin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Canarigenin. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Canarigenin. Following Lipinski's Rule of Five, Canarigenin has 2 hydrogen bond donor(s) and 4 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 Canarigenin?
The CAS number of Canarigenin is 1778-88-7.
What is the molecular formula of Canarigenin?
The molecular formula of Canarigenin is C23H32O4.
What is the molecular weight of Canarigenin?
The molecular weight of Canarigenin is 372.23 g/mol.
Where can I buy Canarigenin?
You can request a quote for Canarigenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Canarigenin?
Yes, KEHONG BIO provides custom synthesis services for Canarigenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.