3-(Formyloxy)-14-hydroxycard-20(22)-enolide
TL;DR: 3-(Formyloxy)-14-hydroxycard-20(22)-enolide (CAS 1250-96-0) is a chemical compound with molecular formula C24H34O5 and molecular weight 402.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,10S,13R,14S,17R)-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: Digitoxigenin formate, 3-Formyl-digitoxigenin, Digitoxigeninformate, 3-(Formyloxy)-14-hydroxycard-20(22)-enolide, 3-beta,14-Dihydroxy-5-beta-card-20(22)-enolide 3-formate
| Molecular Formula | C24H34O5 |
|---|---|
| Molecular Weight | 402.24 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.24063 |
| Heavy Atoms | 29 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 1250-96-0 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)OC=O |
| InChIKey | CYFZCSUWVQGZIF-ZXRSHIDQSA-N |
Product Overview
3-(Formyloxy)-14-hydroxycard-20(22)-enolide (CAS 1250-96-0), with molecular formula C24H34O5 and molecular weight 402.24 g/mol. IUPAC: [(3S,5R,10S,13R,14S,17R)-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-(Formyloxy)-14-hydroxycard-20(22)-enolide
Property Insights of 3-(Formyloxy)-14-hydroxycard-20(22)-enolide
The XLogP value of 3.2 indicates that 3-(Formyloxy)-14-hydroxycard-20(22)-enolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Formyloxy)-14-hydroxycard-20(22)-enolide. Following Lipinski's Rule of Five, 3-(Formyloxy)-14-hydroxycard-20(22)-enolide has 1 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 3-(Formyloxy)-14-hydroxycard-20(22)-enolide?
The CAS number of 3-(Formyloxy)-14-hydroxycard-20(22)-enolide is 1250-96-0.
What is the molecular formula of 3-(Formyloxy)-14-hydroxycard-20(22)-enolide?
The molecular formula of 3-(Formyloxy)-14-hydroxycard-20(22)-enolide is C24H34O5.
What is the molecular weight of 3-(Formyloxy)-14-hydroxycard-20(22)-enolide?
The molecular weight of 3-(Formyloxy)-14-hydroxycard-20(22)-enolide is 402.24 g/mol.
Where can I buy 3-(Formyloxy)-14-hydroxycard-20(22)-enolide?
You can request a quote for 3-(Formyloxy)-14-hydroxycard-20(22)-enolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Formyloxy)-14-hydroxycard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Formyloxy)-14-hydroxycard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.