3-Formylgitaloxigenin
TL;DR: 3-Formylgitaloxigenin (CAS 1256-58-2) is a chemical compound with molecular formula C25H34O7 and molecular weight 446.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,10S,13R,14S,16S,17R)-16-formyloxy-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-3-yl] formate
Also Known As: 3-Formylgitaloxigenin, 3-Formyl-gitaloxigenin, 3-16-Formyl-gitoxigenin, 4-18-00-02458 (Beilstein Handbook Reference), 3,16-Bis(formyloxy)-14-hydroxycard-20(22)-enolide
| Molecular Formula | C25H34O7 |
|---|---|
| Molecular Weight | 446.23 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.23044 |
| Heavy Atoms | 32 |
| Complexity | 838.0 |
Chemical Identifiers
| CAS Number | 1256-58-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)OC=O)O)C)OC=O |
| InChIKey | AISBGAJDNGFBRL-KMESBTIVSA-N |
Product Overview
3-Formylgitaloxigenin (CAS 1256-58-2), with molecular formula C25H34O7 and molecular weight 446.23 g/mol. IUPAC: [(3S,5R,10S,13R,14S,16S,17R)-16-formyloxy-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-3-yl] formate.
Chemical Property Profile of 3-Formylgitaloxigenin
Property Insights of 3-Formylgitaloxigenin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Formylgitaloxigenin. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Formylgitaloxigenin. Following Lipinski's Rule of Five, 3-Formylgitaloxigenin has 1 hydrogen bond donor(s) and 7 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 3-Formylgitaloxigenin?
The CAS number of 3-Formylgitaloxigenin is 1256-58-2.
What is the molecular formula of 3-Formylgitaloxigenin?
The molecular formula of 3-Formylgitaloxigenin is C25H34O7.
What is the molecular weight of 3-Formylgitaloxigenin?
The molecular weight of 3-Formylgitaloxigenin is 446.23 g/mol.
Where can I buy 3-Formylgitaloxigenin?
You can request a quote for 3-Formylgitaloxigenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Formylgitaloxigenin?
Yes, KEHONG BIO provides custom synthesis services for 3-Formylgitaloxigenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.