Cardanolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)-
TL;DR: Cardanolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)- (CAS 4442-12-0) is a chemical compound with molecular formula C23H36O5 and molecular weight 392.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one
Also Known As: Dihydrodigoxigenin, 20,22-Dihydrodigoxigenin, 20,22-Dihydro-digoxigenin, 3,12,14-Trihydroxycardanolide, 3beta,12beta,14-trihydroxy-5beta-cardanolide
| Molecular Formula | C23H36O5 |
|---|---|
| Molecular Weight | 392.26 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 392.2563 |
| Heavy Atoms | 28 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 4442-12-0 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4[C@H]5CC(=O)OC5)O)C)O)O |
| InChIKey | MWPLZPAHTHIKQB-YNFYBLEISA-N |
Product Overview
Cardanolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)- (CAS 4442-12-0), with molecular formula C23H36O5 and molecular weight 392.26 g/mol. IUPAC: (4R)-4-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one.
Chemical Property Profile of Cardanolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)-
Property Insights of Cardanolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cardanolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)-. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cardanolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)-. Following Lipinski's Rule of Five, Cardanolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)- has 3 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 Cardanolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)-?
The CAS number of Cardanolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)- is 4442-12-0.
What is the molecular formula of Cardanolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)-?
The molecular formula of Cardanolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)- is C23H36O5.
What is the molecular weight of Cardanolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)-?
The molecular weight of Cardanolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)- is 392.26 g/mol.
Where can I buy Cardanolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)-?
You can request a quote for Cardanolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cardanolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)-?
Yes, KEHONG BIO provides custom synthesis services for Cardanolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.