12,14-Dihydroxy-3-oxocard-20(22)-enolide
TL;DR: 12,14-Dihydroxy-3-oxocard-20(22)-enolide (CAS 4442-17-5) is a chemical compound with molecular formula C23H32O5 and molecular weight 388.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5R,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: 3-Oxodigoxigenin, 3-Ketodigoxigenin, 3-Dehydrodigoxigenin, 3 - Dehydrodigoxigenin, 12,14-Dihydroxy-3-oxocard-20(22)-enolide
| Molecular Formula | C23H32O5 |
|---|---|
| Molecular Weight | 388.22 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.22498 |
| Heavy Atoms | 28 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 4442-17-5 |
|---|---|
| SMILES | C[C@]12CCC(=O)C[C@H]1CCC3C2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O |
| InChIKey | POWMMMXVDBMFMP-IYGQVCONSA-N |
Product Overview
12,14-Dihydroxy-3-oxocard-20(22)-enolide (CAS 4442-17-5), with molecular formula C23H32O5 and molecular weight 388.22 g/mol. IUPAC: 3-[(5R,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of 12,14-Dihydroxy-3-oxocard-20(22)-enolide
Property Insights of 12,14-Dihydroxy-3-oxocard-20(22)-enolide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12,14-Dihydroxy-3-oxocard-20(22)-enolide. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 12,14-Dihydroxy-3-oxocard-20(22)-enolide. Following Lipinski's Rule of Five, 12,14-Dihydroxy-3-oxocard-20(22)-enolide 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 12,14-Dihydroxy-3-oxocard-20(22)-enolide?
The CAS number of 12,14-Dihydroxy-3-oxocard-20(22)-enolide is 4442-17-5.
What is the molecular formula of 12,14-Dihydroxy-3-oxocard-20(22)-enolide?
The molecular formula of 12,14-Dihydroxy-3-oxocard-20(22)-enolide is C23H32O5.
What is the molecular weight of 12,14-Dihydroxy-3-oxocard-20(22)-enolide?
The molecular weight of 12,14-Dihydroxy-3-oxocard-20(22)-enolide is 388.22 g/mol.
Where can I buy 12,14-Dihydroxy-3-oxocard-20(22)-enolide?
You can request a quote for 12,14-Dihydroxy-3-oxocard-20(22)-enolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12,14-Dihydroxy-3-oxocard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 12,14-Dihydroxy-3-oxocard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.