3,14-Dihydroxy-19-oxobufa-4,20,22-trienolide
TL;DR: 3,14-Dihydroxy-19-oxobufa-4,20,22-trienolide (CAS 51440-05-2) is a chemical compound with molecular formula C24H30O5 and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Scilliglaucosidin, Scillaglaucosidin, 3,14-dihydroxy-19-oxobufa-4,20,22-trienolide, NCI60_000786, 3-beta,14-Dihydroxy-19-oxobufa-4,20,22-trienolide
| Molecular Formula | C24H30O5 |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.20932 |
| Heavy Atoms | 29 |
| Complexity | 840.0 |
Chemical Identifiers
| CAS Number | 51440-05-2 |
|---|---|
| SMILES | CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5=CC(CCC35C=O)O |
| InChIKey | XMFOZWPYGNDNKK-UHFFFAOYSA-N |
Product Overview
3,14-Dihydroxy-19-oxobufa-4,20,22-trienolide (CAS 51440-05-2), with molecular formula C24H30O5 and molecular weight 398.21 g/mol. IUPAC: 3,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of 3,14-Dihydroxy-19-oxobufa-4,20,22-trienolide
Property Insights of 3,14-Dihydroxy-19-oxobufa-4,20,22-trienolide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,14-Dihydroxy-19-oxobufa-4,20,22-trienolide. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,14-Dihydroxy-19-oxobufa-4,20,22-trienolide. Following Lipinski's Rule of Five, 3,14-Dihydroxy-19-oxobufa-4,20,22-trienolide has 2 hydrogen bond donor(s) and 5 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 3,14-Dihydroxy-19-oxobufa-4,20,22-trienolide?
The CAS number of 3,14-Dihydroxy-19-oxobufa-4,20,22-trienolide is 51440-05-2.
What is the molecular formula of 3,14-Dihydroxy-19-oxobufa-4,20,22-trienolide?
The molecular formula of 3,14-Dihydroxy-19-oxobufa-4,20,22-trienolide is C24H30O5.
What is the molecular weight of 3,14-Dihydroxy-19-oxobufa-4,20,22-trienolide?
The molecular weight of 3,14-Dihydroxy-19-oxobufa-4,20,22-trienolide is 398.21 g/mol.
Where can I buy 3,14-Dihydroxy-19-oxobufa-4,20,22-trienolide?
You can request a quote for 3,14-Dihydroxy-19-oxobufa-4,20,22-trienolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,14-Dihydroxy-19-oxobufa-4,20,22-trienolide?
Yes, KEHONG BIO provides custom synthesis services for 3,14-Dihydroxy-19-oxobufa-4,20,22-trienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.