Alcyonin
TL;DR: Alcyonin (CAS 13368-14-4) is a chemical compound with molecular formula C22H34O6 and molecular weight 394.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,6R,7R,8R,9R,10S,12S)-12-hydroperoxy-9-hydroxy-3,9-dimethyl-13-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadec-3-en-10-yl] acetate
Also Known As: Alcyonin, KST-1A1135, J1.909.936I, (4r,4ar,5r,6r,7s,9s,12r,12ar)-9-hydroperoxy-6-hydroxy-1,6-dimethyl-10-methylidene-4-(propan-2-yl)-3,4,4a,5,6,7,8,9,10,11,12,12a-dodecahydro-5,12-epoxybenzo[10]annulen-7-yl acetate, ((1R,2R,6R,7R,8R,9R,10S,12S)-12-hydroperoxy-9-hydroxy-3,9-dimethyl-13-methylidene-6-propan-2-yl-15-oxatricyclo(6.6.1.02,7)pentadec-3-en-10-yl) acetate
| Molecular Formula | C22H34O6 |
|---|---|
| Molecular Weight | 394.24 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.23553 |
| Heavy Atoms | 28 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 13368-14-4 |
|---|---|
| SMILES | CC1=CC[C@@H]([C@@H]2[C@H]1[C@H]3CC(=C)[C@H](C[C@@H]([C@@]([C@@H]2O3)(C)O)OC(=O)C)OO)C(C)C |
| InChIKey | FWTHLONYJCIPFC-DIHPLBBDSA-N |
Product Overview
Alcyonin (CAS 13368-14-4), with molecular formula C22H34O6 and molecular weight 394.24 g/mol. IUPAC: [(1R,2R,6R,7R,8R,9R,10S,12S)-12-hydroperoxy-9-hydroxy-3,9-dimethyl-13-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadec-3-en-10-yl] acetate.
Chemical Property Profile of Alcyonin
Property Insights of Alcyonin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alcyonin. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Alcyonin. Following Lipinski's Rule of Five, Alcyonin has 2 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 Alcyonin?
The CAS number of Alcyonin is 13368-14-4.
What is the molecular formula of Alcyonin?
The molecular formula of Alcyonin is C22H34O6.
What is the molecular weight of Alcyonin?
The molecular weight of Alcyonin is 394.24 g/mol.
Where can I buy Alcyonin?
You can request a quote for Alcyonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alcyonin?
Yes, KEHONG BIO provides custom synthesis services for Alcyonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.