Scillarenine
TL;DR: Scillarenine (CAS 465-22-5) is a chemical compound with molecular formula C24H32O4 and molecular weight 384.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3S,8R,9S,10R,13R,14S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Scillarenin, Scillarenine, Scillarenin A, Transvaalin aglycon, .beta.-Scillarenin
| Molecular Formula | C24H32O4 |
|---|---|
| Molecular Weight | 384.23 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 384.23007 |
| Heavy Atoms | 28 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 465-22-5 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CCC4C5=COC(=O)C=C5)O)C)O |
| InChIKey | OVUOVMIMOCJILI-GDWHAHJOSA-N |
Product Overview
Scillarenine (CAS 465-22-5), with molecular formula C24H32O4 and molecular weight 384.23 g/mol. IUPAC: 5-[(3S,8R,9S,10R,13R,14S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one.
Chemical Property Profile of Scillarenine
Property Insights of Scillarenine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Scillarenine. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Scillarenine. Following Lipinski's Rule of Five, Scillarenine 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 Scillarenine?
The CAS number of Scillarenine is 465-22-5.
What is the molecular formula of Scillarenine?
The molecular formula of Scillarenine is C24H32O4.
What is the molecular weight of Scillarenine?
The molecular weight of Scillarenine is 384.23 g/mol.
Where can I buy Scillarenine?
You can request a quote for Scillarenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Scillarenine?
Yes, KEHONG BIO provides custom synthesis services for Scillarenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.