Lyoniol-A
TL;DR: Lyoniol-A (CAS 31136-61-5) is a chemical compound with molecular formula C22H34O7 and molecular weight 410.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,3R,4R,6R,8S,9S,10R,11R,14R,15R)-3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-2-yl] acetate
Also Known As: Lyoniol-A, Lyoniatoxin, Lyoniol A, [(1R,2S,3R,4R,6R,8S,9S,10R,11R,14R,15R)-3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-2-yl] acetate, 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-7-yl acetate
| Molecular Formula | C22H34O7 |
|---|---|
| Molecular Weight | 410.23 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.23044 |
| Heavy Atoms | 29 |
| Complexity | 768.0 |
Chemical Identifiers
| CAS Number | 31136-61-5 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@H]([C@]2([C@@H]([C@H]3[C@@H](C2(C)C)O3)[C@]([C@H]4[C@]15C[C@@H](CC4)[C@](C5)(C)O)(C)O)O)O |
| InChIKey | IONWCZKSTMAXMV-CRRNJOFASA-N |
Product Overview
Lyoniol-A (CAS 31136-61-5), with molecular formula C22H34O7 and molecular weight 410.23 g/mol. IUPAC: [(1R,2S,3R,4R,6R,8S,9S,10R,11R,14R,15R)-3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-2-yl] acetate.
Chemical Property Profile of Lyoniol-A
Property Insights of Lyoniol-A
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lyoniol-A. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Lyoniol-A. Following Lipinski's Rule of Five, Lyoniol-A has 4 hydrogen bond donor(s) and 7 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 Lyoniol-A?
The CAS number of Lyoniol-A is 31136-61-5.
What is the molecular formula of Lyoniol-A?
The molecular formula of Lyoniol-A is C22H34O7.
What is the molecular weight of Lyoniol-A?
The molecular weight of Lyoniol-A is 410.23 g/mol.
Where can I buy Lyoniol-A?
You can request a quote for Lyoniol-A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lyoniol-A?
Yes, KEHONG BIO provides custom synthesis services for Lyoniol-A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.