Gaylussacin
TL;DR: Gaylussacin (CAS 38232-08-5) is a chemical compound with molecular formula C21H22O9 and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-6-[(E)-2-phenylethenyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
Also Known As: Gaylussacin, 5-(beta-D-Glucosyloxy)-3-hydroxy-trans-stilbene-2-carboxylic acid, Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-hydroxy-6-[(1E)-2-phenylethenyl]-, 2-hydroxy-6-[(E)-2-phenylethenyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid, 4-(beta-D-Glucopyranosyloxy)-2-hydroxy-6-[(E)-2-phenylethenyl]benzoic acid
| Molecular Formula | C21H22O9 |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 0.4395 |
| Topological Polar Surface Area | 156.91 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.12637 |
| Heavy Atoms | 30 |
| Complexity | 910.1931 |
Chemical Identifiers
| CAS Number | 38232-08-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C2=C(C(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C(=O)O |
Product Overview
Gaylussacin (CAS 38232-08-5), with molecular formula C21H22O9 and molecular weight 418.13 g/mol. IUPAC: 2-hydroxy-6-[(E)-2-phenylethenyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid.
Chemical Property Profile of Gaylussacin
Property Insights of Gaylussacin
The XLogP value of 0.4395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gaylussacin. The TPSA of 156.91 Ų indicates high polarity, suggesting Gaylussacin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gaylussacin has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gaylussacin?
The CAS number of Gaylussacin is 38232-08-5.
What is the molecular formula of Gaylussacin?
The molecular formula of Gaylussacin is C21H22O9.
What is the molecular weight of Gaylussacin?
The molecular weight of Gaylussacin is 418.13 g/mol.
Where can I buy Gaylussacin?
You can request a quote for Gaylussacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gaylussacin?
Yes, KEHONG BIO provides custom synthesis services for Gaylussacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.