Gnetin A
TL;DR: Gnetin A (CAS 82084-87-5) is a chemical compound with molecular formula C28H22O6 and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5R,6R,7R)-6-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]bicyclo[3.2.1]oct-3-ene-2,8-dione
Also Known As: Gnetin A, J2.772.127C, (1S,5R,6R,7R)-6-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]bicyclo[3.2.1]oct-3-ene-2,8-dione, (1S,5R,6R,7R)-6-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]bicyclo[3.2.1]oct-3-ene-2,8-dione, (1S,5R,6R,7R)-6-(3,5-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethen-1-yl]bicyclo[3.2.1]oct-3-ene-2,8-dione
| Molecular Formula | C28H22O6 |
|---|---|
| Molecular Weight | 454.14 g/mol |
| LogP | 4.414 |
| Topological Polar Surface Area | 115.06 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.14163 |
| Heavy Atoms | 34 |
| Complexity | 1314.0642 |
Chemical Identifiers
| CAS Number | 82084-87-5 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C2=CC(=O)[C@@H]3[C@@H]([C@H]([C@H]2C3=O)C4=CC(=CC(=C4)O)O)C5=CC=C(C=C5)O)O |
Product Overview
Gnetin A (CAS 82084-87-5), with molecular formula C28H22O6 and molecular weight 454.14 g/mol. IUPAC: (1S,5R,6R,7R)-6-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]bicyclo[3.2.1]oct-3-ene-2,8-dione.
Chemical Property Profile of Gnetin A
Property Insights of Gnetin A
The XLogP value of 4.414 indicates that Gnetin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Gnetin A. Following Lipinski's Rule of Five, Gnetin A 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 Gnetin A?
The CAS number of Gnetin A is 82084-87-5.
What is the molecular formula of Gnetin A?
The molecular formula of Gnetin A is C28H22O6.
What is the molecular weight of Gnetin A?
The molecular weight of Gnetin A is 454.14 g/mol.
Where can I buy Gnetin A?
You can request a quote for Gnetin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gnetin A?
Yes, KEHONG BIO provides custom synthesis services for Gnetin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.