3,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide
TL;DR: 3,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide (CAS 546-04-3) is a chemical compound with molecular formula C23H30O5 and molecular weight 386.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,10S,13R,14S)-3,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Pachygenin, delta(sup 5)-Anhydrostrophanthidin, 3,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide, 3-beta,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide, CARDA-5,20(22)-DIENOLIDE, 3-beta,14-DIHYDROXY-19-OXO-
| Molecular Formula | C23H30O5 |
|---|---|
| Molecular Weight | 386.21 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.20932 |
| Heavy Atoms | 28 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 546-04-3 |
|---|---|
| SMILES | C[C@]12CCC3C([C@]1(CCC2C4=CC(=O)OC4)O)CC=C5[C@@]3(CC[C@@H](C5)O)C=O |
| InChIKey | FDFUXGSOHNJEAN-KQYWMCCWSA-N |
Product Overview
3,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide (CAS 546-04-3), with molecular formula C23H30O5 and molecular weight 386.21 g/mol. IUPAC: (3S,10S,13R,14S)-3,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of 3,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide
Property Insights of 3,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide. Following Lipinski's Rule of Five, 3,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide 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-oxocarda-5,20(22)-dienolide?
The CAS number of 3,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide is 546-04-3.
What is the molecular formula of 3,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide?
The molecular formula of 3,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide is C23H30O5.
What is the molecular weight of 3,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide?
The molecular weight of 3,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide is 386.21 g/mol.
Where can I buy 3,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide?
You can request a quote for 3,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide 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-oxocarda-5,20(22)-dienolide?
Yes, KEHONG BIO provides custom synthesis services for 3,14-Dihydroxy-19-oxocarda-5,20(22)-dienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.