Digoxigenin
TL;DR: Digoxigenin (CAS 465-14-5) is a chemical compound with molecular formula C23H34O5 and molecular weight 390.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(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)-2H-furan-5-one
Also Known As: Digoxigenin, Digoxigenine, Lanadigenin, Spectrum4_001416, Spectrum5_000212
| Molecular Formula | C23H34O5 |
|---|---|
| Molecular Weight | 390.24 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 390.24063 |
| Heavy Atoms | 28 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 465-14-5 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)O)O |
| InChIKey | SHIBSTMRCDJXLN-UHFFFAOYSA-N |
Product Overview
Digoxigenin (CAS 465-14-5), with molecular formula C23H34O5 and molecular weight 390.24 g/mol. IUPAC: 3-(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)-2H-furan-5-one.
Chemical Property Profile of Digoxigenin
Property Insights of Digoxigenin
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Digoxigenin. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Digoxigenin. Following Lipinski's Rule of Five, Digoxigenin 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 Digoxigenin?
The CAS number of Digoxigenin is 465-14-5.
What is the molecular formula of Digoxigenin?
The molecular formula of Digoxigenin is C23H34O5.
What is the molecular weight of Digoxigenin?
The molecular weight of Digoxigenin is 390.24 g/mol.
Where can I buy Digoxigenin?
You can request a quote for Digoxigenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digoxigenin?
Yes, KEHONG BIO provides custom synthesis services for Digoxigenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.