Cardanolide, 3,14-dihydroxy-, (3beta,5beta)-
TL;DR: Cardanolide, 3,14-dihydroxy-, (3beta,5beta)- (CAS 4427-85-4) is a chemical compound with molecular formula C23H36O4 and molecular weight 376.26 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,13R,14S,17R)-3,14-dihydroxy-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: Dihydrodigitoxigenin, 20,22-Dihydrodigitoxigenin, 20,22-Dihydro-digitoxigenin, (5beta)-3beta,14-Dihydroxycardanolide, 3,14-Dihydroxycardanolide
| Molecular Formula | C23H36O4 |
|---|---|
| Molecular Weight | 376.26 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 376.26135 |
| Heavy Atoms | 27 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 4427-85-4 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4[C@H]5CC(=O)OC5)O)C)O |
| InChIKey | CIQHGVTXALCNSM-ROIXOECXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cardanolide, 3,14-dihydroxy-, (3beta,5beta)- (CAS 4427-85-4), with molecular formula C23H36O4 and molecular weight 376.26 g/mol. IUPAC: (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-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, 3,14-dihydroxy-, (3beta,5beta)-
Property Insights of Cardanolide, 3,14-dihydroxy-, (3beta,5beta)-
The XLogP value of 3.7 indicates that Cardanolide, 3,14-dihydroxy-, (3beta,5beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Cardanolide, 3,14-dihydroxy-, (3beta,5beta)-. Following Lipinski's Rule of Five, Cardanolide, 3,14-dihydroxy-, (3beta,5beta)- 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 Cardanolide, 3,14-dihydroxy-, (3beta,5beta)-?
The CAS number of Cardanolide, 3,14-dihydroxy-, (3beta,5beta)- is 4427-85-4.
What is the molecular formula of Cardanolide, 3,14-dihydroxy-, (3beta,5beta)-?
The molecular formula of Cardanolide, 3,14-dihydroxy-, (3beta,5beta)- is C23H36O4.
What is the molecular weight of Cardanolide, 3,14-dihydroxy-, (3beta,5beta)-?
The molecular weight of Cardanolide, 3,14-dihydroxy-, (3beta,5beta)- is 376.26 g/mol.
Where can I buy Cardanolide, 3,14-dihydroxy-, (3beta,5beta)-?
You can request a quote for Cardanolide, 3,14-dihydroxy-, (3beta,5beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cardanolide, 3,14-dihydroxy-, (3beta,5beta)-?
Yes, KEHONG BIO provides custom synthesis services for Cardanolide, 3,14-dihydroxy-, (3beta,5beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.