22-Methylene-20,22-dihydrodigitoxigenin
TL;DR: 22-Methylene-20,22-dihydrodigitoxigenin (CAS 69489-48-1) is a chemical compound with molecular formula C24H36O4 and molecular weight 388.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-[(3S,5R,8R,9S,10S,13R,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]-3-methylideneoxolan-2-one
Also Known As: 22-M-20,22-Ddtg, 22-Methylene-20,22-dihydrodigitoxigenin, 3,14-Dihydroxy-22-methylidenecardanolide, (4S)-4-[(3S,5R,8R,9S,10S,13R,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]-3-methylideneoxolan-2-one, (14xi)-3beta,14-Dihydroxy-22-methylidene-5beta-cardanolide
| Molecular Formula | C24H36O4 |
|---|---|
| Molecular Weight | 388.26 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.26135 |
| Heavy Atoms | 28 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 69489-48-1 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C3(CC[C@@H]4[C@@H]5COC(=O)C5=C)O)C)O |
| InChIKey | NBSKUOHKDWPXAA-HXIBYZCASA-N |
Product Overview
22-Methylene-20,22-dihydrodigitoxigenin (CAS 69489-48-1), with molecular formula C24H36O4 and molecular weight 388.26 g/mol. IUPAC: (4S)-4-[(3S,5R,8R,9S,10S,13R,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]-3-methylideneoxolan-2-one.
Chemical Property Profile of 22-Methylene-20,22-dihydrodigitoxigenin
Property Insights of 22-Methylene-20,22-dihydrodigitoxigenin
The XLogP value of 4.1 indicates that 22-Methylene-20,22-dihydrodigitoxigenin 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 22-Methylene-20,22-dihydrodigitoxigenin. Following Lipinski's Rule of Five, 22-Methylene-20,22-dihydrodigitoxigenin 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 22-Methylene-20,22-dihydrodigitoxigenin?
The CAS number of 22-Methylene-20,22-dihydrodigitoxigenin is 69489-48-1.
What is the molecular formula of 22-Methylene-20,22-dihydrodigitoxigenin?
The molecular formula of 22-Methylene-20,22-dihydrodigitoxigenin is C24H36O4.
What is the molecular weight of 22-Methylene-20,22-dihydrodigitoxigenin?
The molecular weight of 22-Methylene-20,22-dihydrodigitoxigenin is 388.26 g/mol.
Where can I buy 22-Methylene-20,22-dihydrodigitoxigenin?
You can request a quote for 22-Methylene-20,22-dihydrodigitoxigenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 22-Methylene-20,22-dihydrodigitoxigenin?
Yes, KEHONG BIO provides custom synthesis services for 22-Methylene-20,22-dihydrodigitoxigenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.