1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate
TL;DR: 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate (CAS 82154-75-4) is a chemical compound with molecular formula C22H30O9 and molecular weight 438.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4R,5R,6R,7R,8R,11R,14S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecan-8-yl] acetate
Also Known As: Holacanthone, KST-1A8398, 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate, (1, A,4
| Molecular Formula | C22H30O9 |
|---|---|
| Molecular Weight | 438.19 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 438.189 |
| Heavy Atoms | 31 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 82154-75-4 |
|---|---|
| SMILES | C[C@H]1CC(=O)[C@H]([C@]2(C1C[C@@H]3[C@]45[C@@H]2[C@]([C@@H]([C@@H]([C@H]4[C@H](C(=O)O3)OC(=O)C)C)O)(OC5)O)C)O |
| InChIKey | KIZWNNDWEPUGBU-OBWYKSPLSA-N |
Product Overview
1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate (CAS 82154-75-4), with molecular formula C22H30O9 and molecular weight 438.19 g/mol. IUPAC: [(1S,4R,5R,6R,7R,8R,11R,14S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecan-8-yl] acetate.
Chemical Property Profile of 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate
Property Insights of 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate. The TPSA of 140.0 Ų indicates high polarity, suggesting 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate has 3 hydrogen bond donor(s) and 9 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 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate?
The CAS number of 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate is 82154-75-4.
What is the molecular formula of 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate?
The molecular formula of 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate is C22H30O9.
What is the molecular weight of 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate?
The molecular weight of 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate is 438.19 g/mol.
Where can I buy 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate?
You can request a quote for 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.