6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide
TL;DR: 6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide (CAS 10271-07-5) is a chemical compound with molecular formula C26H32O8 and molecular weight 472.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6,11,12-trihydroxy-2,16-dimethyl-15-(6-oxopyran-3-yl)-4-oxapentacyclo[9.7.0.02,8.03,5.012,16]octadec-7-en-9-yl] acetate
Also Known As: Scillirosidin,2.alpha.-epoxy-, Scillirosidin, 1., A.,2., A.-epoxy-, NCI60_000396
| Molecular Formula | C26H32O8 |
|---|---|
| Molecular Weight | 472.21 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 472.20972 |
| Heavy Atoms | 34 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 10271-07-5 |
|---|---|
| SMILES | CC(=O)OC1CC2(C(CCC3(C2(CCC3C4=COC(=O)C=C4)O)C)C5(C1=CC(C6C5O6)O)C)O |
| InChIKey | PQPYOTABGNYENP-UHFFFAOYSA-N |
Product Overview
6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide (CAS 10271-07-5), with molecular formula C26H32O8 and molecular weight 472.21 g/mol. IUPAC: [6,11,12-trihydroxy-2,16-dimethyl-15-(6-oxopyran-3-yl)-4-oxapentacyclo[9.7.0.02,8.03,5.012,16]octadec-7-en-9-yl] acetate.
Chemical Property Profile of 6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide
Property Insights of 6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide. Following Lipinski's Rule of Five, 6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide has 3 hydrogen bond donor(s) and 8 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 6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide?
The CAS number of 6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide is 10271-07-5.
What is the molecular formula of 6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide?
The molecular formula of 6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide is C26H32O8.
What is the molecular weight of 6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide?
The molecular weight of 6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide is 472.21 g/mol.
Where can I buy 6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide?
You can request a quote for 6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide?
Yes, KEHONG BIO provides custom synthesis services for 6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.