3-(Acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-20(22)-enolide
TL;DR: 3-(Acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-20(22)-enolide (CAS 15620-78-7) is a chemical compound with molecular formula C25H32O7 and molecular weight 444.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-formyl-12-hydroxy-16-methyl-15-(5-oxo-2H-furan-3-yl)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate
Also Known As: 3-(acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-20(22)-enolide
| Molecular Formula | C25H32O7 |
|---|---|
| Molecular Weight | 444.21 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.2148 |
| Heavy Atoms | 32 |
| Complexity | 927.0 |
Chemical Identifiers
| CAS Number | 15620-78-7 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CC5C2(C1)O5)O)C6=CC(=O)OC6)C)C=O |
| InChIKey | UUFLHYGLCCSYPF-UHFFFAOYSA-N |
Product Overview
3-(Acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-20(22)-enolide (CAS 15620-78-7), with molecular formula C25H32O7 and molecular weight 444.21 g/mol. IUPAC: [2-formyl-12-hydroxy-16-methyl-15-(5-oxo-2H-furan-3-yl)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate.
Chemical Property Profile of 3-(Acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-20(22)-enolide
Property Insights of 3-(Acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-20(22)-enolide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-20(22)-enolide. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-20(22)-enolide. Following Lipinski's Rule of Five, 3-(Acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-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-(Acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-20(22)-enolide?
The CAS number of 3-(Acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-20(22)-enolide is 15620-78-7.
What is the molecular formula of 3-(Acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-20(22)-enolide?
The molecular formula of 3-(Acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-20(22)-enolide is C25H32O7.
What is the molecular weight of 3-(Acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-20(22)-enolide?
The molecular weight of 3-(Acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-20(22)-enolide is 444.21 g/mol.
Where can I buy 3-(Acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-20(22)-enolide?
You can request a quote for 3-(Acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-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-(Acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetyloxy)-14-hydroxy-19-oxo-5,6-epoxycard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.