Cardiopetalidine
TL;DR: Cardiopetalidine (CAS 75375-44-9) is a chemical compound with molecular formula C21H33NO4 and molecular weight 363.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,3R,4S,5S,8R,9R,13R,16S,17R)-11-ethyl-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol
Also Known As: Cardiopetalidine, (17xi)-20-Ethyl-4-methylaconitane-1alpha,7,8,14alpha-tetrol, (1S,2R,3R,4S,5S,8R,9R,13R,16S,17R)-11-ethyl-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol, (2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
| Molecular Formula | C21H33NO4 |
|---|---|
| Molecular Weight | 363.24 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 363.24097 |
| Heavy Atoms | 26 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 75375-44-9 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@](C31)([C@]5(CC[C@H]6C[C@@H]4[C@@H]5[C@H]6O)O)O)O)C |
| InChIKey | AIQHURFKXYCRCF-DFKOQAFRSA-N |
Product Overview
Cardiopetalidine (CAS 75375-44-9), with molecular formula C21H33NO4 and molecular weight 363.24 g/mol. IUPAC: (1S,2R,3R,4S,5S,8R,9R,13R,16S,17R)-11-ethyl-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol.
Chemical Property Profile of Cardiopetalidine
Property Insights of Cardiopetalidine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cardiopetalidine. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Cardiopetalidine. Following Lipinski's Rule of Five, Cardiopetalidine has 4 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 Cardiopetalidine?
The CAS number of Cardiopetalidine is 75375-44-9.
What is the molecular formula of Cardiopetalidine?
The molecular formula of Cardiopetalidine is C21H33NO4.
What is the molecular weight of Cardiopetalidine?
The molecular weight of Cardiopetalidine is 363.24 g/mol.
Where can I buy Cardiopetalidine?
You can request a quote for Cardiopetalidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cardiopetalidine?
Yes, KEHONG BIO provides custom synthesis services for Cardiopetalidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.