6-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate
TL;DR: 6-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate (CAS 125332-48-1) is a chemical compound with molecular formula C22H26O6 and molecular weight 386.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,7R,13S)-10-hydroxy-12,12-dimethyl-6-methylidene-9,16-dioxo-14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadec-10-en-7-yl] acetate
Also Known As: Coetsoidin A, KST-1A1491, 6-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate, (3, A,9
| Molecular Formula | C22H26O6 |
|---|---|
| Molecular Weight | 386.17 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.17294 |
| Heavy Atoms | 28 |
| Complexity | 881.0 |
Chemical Identifiers
| CAS Number | 125332-48-1 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C(=C)C2CC[C@@H]3C1(C2)C(=O)C(=C4C35CO[C@H](C4(C)C)CC5=O)O |
| InChIKey | UOYUDLWZKQVTAO-ZSVJTNQJSA-N |
Product Overview
6-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate (CAS 125332-48-1), with molecular formula C22H26O6 and molecular weight 386.17 g/mol. IUPAC: [(2S,7R,13S)-10-hydroxy-12,12-dimethyl-6-methylidene-9,16-dioxo-14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadec-10-en-7-yl] acetate.
Chemical Property Profile of 6-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate
Property Insights of 6-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate. Following Lipinski's Rule of Five, 6-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate has 1 hydrogen bond donor(s) and 6 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-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate?
The CAS number of 6-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate is 125332-48-1.
What is the molecular formula of 6-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate?
The molecular formula of 6-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate is C22H26O6.
What is the molecular weight of 6-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate?
The molecular weight of 6-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate is 386.17 g/mol.
Where can I buy 6-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate?
You can request a quote for 6-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-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 6-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 6-Hydroxy-1,7-dioxo-3,20-epoxykaura-5,16-dien-15-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.