3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide
TL;DR: 3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide (CAS 1256-24-2) 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,12R,13S,14S,17R)-12-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: 3-12-Formyl-digoxigenin, 3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide, 3-beta,12-beta,14-Trihydroxy-5-beta-card-20(22)-enolide 3,12-diformate, 5-beta-CARD-20(22)-ENOLIDE, 3-beta,12-beta,14-TRIHYDROXY-, 3,12-DIFORMATE, Card-20(22)-enolide, 3,12-bis(formyloxy)-14-hydroxy-, (3-beta,5-beta,12-beta)-
| Molecular Formula | C25H34O7 |
|---|---|
| Molecular Weight | 446.23 g/mol |
| LogP | 2.3 |
| 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 | 1256-24-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CCC3C2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)OC=O)OC=O |
| InChIKey | UCVINUPNPDPTFO-KDLVOSJUSA-N |
Product Overview
3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide (CAS 1256-24-2), with molecular formula C25H34O7 and molecular weight 446.23 g/mol. IUPAC: [(3S,5R,10S,12R,13S,14S,17R)-12-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 3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide
Property Insights of 3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide. Following Lipinski's Rule of Five, 3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide 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 3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide?
The CAS number of 3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide is 1256-24-2.
What is the molecular formula of 3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide?
The molecular formula of 3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide is C25H34O7.
What is the molecular weight of 3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide?
The molecular weight of 3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide is 446.23 g/mol.
Where can I buy 3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide?
You can request a quote for 3,12-Bis(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 3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3,12-Bis(formyloxy)-14-hydroxycard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.