Gitoxigenin
TL;DR: Gitoxigenin (CAS 545-26-6) 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-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-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: Gitoxigenin, 16beta-Hydroxydigitoxigenin, 16beta-Hydroxydisitoxigenin, GITOXIGENIN [MI], 16-beta-Hydroxydigitoxigenin
| Molecular Formula | C23H34O5 |
|---|---|
| Molecular Weight | 390.24 g/mol |
| LogP | 1.6 |
| 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 | 545-26-6 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)O)O)C)O |
| InChIKey | PVAMXWLZJKTXFW-VQMOFDJESA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gitoxigenin (CAS 545-26-6), with molecular formula C23H34O5 and molecular weight 390.24 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-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 Gitoxigenin
Property Insights of Gitoxigenin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gitoxigenin. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Gitoxigenin. Following Lipinski's Rule of Five, Gitoxigenin 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 Gitoxigenin?
The CAS number of Gitoxigenin is 545-26-6.
What is the molecular formula of Gitoxigenin?
The molecular formula of Gitoxigenin is C23H34O5.
What is the molecular weight of Gitoxigenin?
The molecular weight of Gitoxigenin is 390.24 g/mol.
Where can I buy Gitoxigenin?
You can request a quote for Gitoxigenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gitoxigenin?
Yes, KEHONG BIO provides custom synthesis services for Gitoxigenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.