3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate
TL;DR: 3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate (CAS 59236-87-2) 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.
[(3R,4R,6S,8S,10S,14R,16S)-4,6,14,16-tetrahydroxy-5,5,14-trimethyl-9-methylidene-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate
Also Known As: 6-o-Acetylgrayanotoxin II, 3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate, Grayanotox-10(20)-ene-3,5,6,14,16-pentol, 6-acetate, (3-beta,6-beta,14R)-, (14S)-3beta,5,14,16-Tetrahydroxygrayanotox-10-en-6beta-yl acetate, RefChem:1065846
| Molecular Formula | C22H34O6 |
|---|---|
| Molecular Weight | 394.24 g/mol |
| LogP | 1.5443 |
| Topological Polar Surface Area | 107.22 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 394.23553 |
| Heavy Atoms | 28 |
| Complexity | 713.81555 |
Chemical Identifiers
| CAS Number | 59236-87-2 |
|---|---|
| SMILES | CC(=O)O[C@@H]1CC23C[C@@](C([C@@H]2O)CC[C@H]3C(=C)[C@H]4[C@]1(C([C@H](C4)O)(C)C)O)(C)O |
Product Overview
3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate (CAS 59236-87-2), with molecular formula C22H34O6 and molecular weight 394.24 g/mol. IUPAC: [(3R,4R,6S,8S,10S,14R,16S)-4,6,14,16-tetrahydroxy-5,5,14-trimethyl-9-methylidene-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate.
Chemical Property Profile of 3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate
Property Insights of 3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate
The XLogP value of 1.5443 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate. The TPSA of 107.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate. Following Lipinski's Rule of Five, 3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate has 4 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 3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate?
The CAS number of 3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate is 59236-87-2.
What is the molecular formula of 3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate?
The molecular formula of 3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate is C22H34O6.
What is the molecular weight of 3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate?
The molecular weight of 3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate is 394.24 g/mol.
Where can I buy 3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate?
You can request a quote for 3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,5,14,16-Tetrahydroxygrayanotox-10-en-6-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.