Gitaloxin
TL;DR: Gitaloxin (CAS 3261-53-8) is a chemical compound with molecular formula C42H64O15 and molecular weight 808.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate
Also Known As: Gitaloxin, Cristaloxine, Gitaloxin [INN], 16-Formyl-gitoxin, Gitoxin 16-formate
| Molecular Formula | C42H64O15 |
|---|---|
| Molecular Weight | 808.42 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 808.4245 |
| Heavy Atoms | 57 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 3261-53-8 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)OC=O)O)C)C)C)C)O)O |
| InChIKey | GZZJHPZDXZCDDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gitaloxin (CAS 3261-53-8), with molecular formula C42H64O15 and molecular weight 808.42 g/mol. IUPAC: [3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate.
Chemical Property Profile of Gitaloxin
Property Insights of Gitaloxin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gitaloxin. The TPSA of 209.0 Ų indicates high polarity, suggesting Gitaloxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gitaloxin has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gitaloxin?
The CAS number of Gitaloxin is 3261-53-8.
What is the molecular formula of Gitaloxin?
The molecular formula of Gitaloxin is C42H64O15.
What is the molecular weight of Gitaloxin?
The molecular weight of Gitaloxin is 808.42 g/mol.
Where can I buy Gitaloxin?
You can request a quote for Gitaloxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gitaloxin?
Yes, KEHONG BIO provides custom synthesis services for Gitaloxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.