Isorhamnetin 7-glucoside
TL;DR: Isorhamnetin 7-glucoside (CAS 6743-96-0) is a chemical compound with molecular formula C22H22O12 and molecular weight 478.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Brassicin, Isorhamnetin 7-glucoside, Brassicine, Vinylchloride-d3, isorhamnetin 7-O-glucoside
| Molecular Formula | C22H22O12 |
|---|---|
| Molecular Weight | 478.11 g/mol |
| LogP | -0.2359 |
| Topological Polar Surface Area | 199.51 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.1111 |
| Heavy Atoms | 34 |
| Complexity | 1266.9552 |
Chemical Identifiers
| CAS Number | 6743-96-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O |
Product Overview
Isorhamnetin 7-glucoside (CAS 6743-96-0), with molecular formula C22H22O12 and molecular weight 478.11 g/mol. IUPAC: 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Isorhamnetin 7-glucoside
Property Insights of Isorhamnetin 7-glucoside
The XLogP value of -0.2359 indicates that Isorhamnetin 7-glucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 199.51 Ų indicates high polarity, suggesting Isorhamnetin 7-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isorhamnetin 7-glucoside has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isorhamnetin 7-glucoside?
The CAS number of Isorhamnetin 7-glucoside is 6743-96-0.
What is the molecular formula of Isorhamnetin 7-glucoside?
The molecular formula of Isorhamnetin 7-glucoside is C22H22O12.
What is the molecular weight of Isorhamnetin 7-glucoside?
The molecular weight of Isorhamnetin 7-glucoside is 478.11 g/mol.
Where can I buy Isorhamnetin 7-glucoside?
You can request a quote for Isorhamnetin 7-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isorhamnetin 7-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Isorhamnetin 7-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.