3-Hydroxy-8,14-epoxycard-20(22)-enolide
TL;DR: 3-Hydroxy-8,14-epoxycard-20(22)-enolide (CAS 6246-57-7) is a chemical compound with molecular formula C23H32O4 and molecular weight 372.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3R,6R,7R,11S,14S,16R)-14-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]-2H-furan-5-one
Also Known As: Adynerigenin, Adynerigenine, 3-Hydroxy-8,14-epoxycard-20(22)-enolide, (8xi,9xi)-3beta-Hydroxy-5beta-8,14-epoxycard-20(22)-enolide, 5-beta-CARD-20(22)-ENOLIDE, 8,14-EPOXY-3-beta-HYDROXY-
| Molecular Formula | C23H32O4 |
|---|---|
| Molecular Weight | 372.23 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 372.23007 |
| Heavy Atoms | 27 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 6246-57-7 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CCC34C2CC[C@]5([C@]3(O4)CC[C@@H]5C6=CC(=O)OC6)C)O |
| InChIKey | NPQJYTKOLRTWRO-YAZHADFSSA-N |
Product Overview
3-Hydroxy-8,14-epoxycard-20(22)-enolide (CAS 6246-57-7), with molecular formula C23H32O4 and molecular weight 372.23 g/mol. IUPAC: 3-[(3R,6R,7R,11S,14S,16R)-14-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]-2H-furan-5-one.
Chemical Property Profile of 3-Hydroxy-8,14-epoxycard-20(22)-enolide
Property Insights of 3-Hydroxy-8,14-epoxycard-20(22)-enolide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-8,14-epoxycard-20(22)-enolide. With a topological polar surface area (TPSA) of 59.1 Ų, 3-Hydroxy-8,14-epoxycard-20(22)-enolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-8,14-epoxycard-20(22)-enolide has 1 hydrogen bond donor(s) and 4 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-Hydroxy-8,14-epoxycard-20(22)-enolide?
The CAS number of 3-Hydroxy-8,14-epoxycard-20(22)-enolide is 6246-57-7.
What is the molecular formula of 3-Hydroxy-8,14-epoxycard-20(22)-enolide?
The molecular formula of 3-Hydroxy-8,14-epoxycard-20(22)-enolide is C23H32O4.
What is the molecular weight of 3-Hydroxy-8,14-epoxycard-20(22)-enolide?
The molecular weight of 3-Hydroxy-8,14-epoxycard-20(22)-enolide is 372.23 g/mol.
Where can I buy 3-Hydroxy-8,14-epoxycard-20(22)-enolide?
You can request a quote for 3-Hydroxy-8,14-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-Hydroxy-8,14-epoxycard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-8,14-epoxycard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.