Isocytisoside
TL;DR: Isocytisoside (CAS 5427-44-1) is a chemical compound with molecular formula C22H22O10 and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dihydroxy-2-(4-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Also Known As: Isocytisoside, isovitexin 4'-methyl ether, SID:53788452, 6-, A-d-glucopyranosyl-5,7-dihydroxy-4'-methoxyflavone
| Molecular Formula | C22H22O10 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.1213 |
| Heavy Atoms | 32 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 5427-44-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
| InChIKey | AQHMJUSCGYYXRM-DGHBBABESA-N |
Product Overview
Isocytisoside (CAS 5427-44-1), with molecular formula C22H22O10 and molecular weight 446.12 g/mol. IUPAC: 5,7-dihydroxy-2-(4-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one.
Chemical Property Profile of Isocytisoside
Property Insights of Isocytisoside
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocytisoside. The TPSA of 166.0 Ų indicates high polarity, suggesting Isocytisoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isocytisoside has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isocytisoside?
The CAS number of Isocytisoside is 5427-44-1.
What is the molecular formula of Isocytisoside?
The molecular formula of Isocytisoside is C22H22O10.
What is the molecular weight of Isocytisoside?
The molecular weight of Isocytisoside is 446.12 g/mol.
Where can I buy Isocytisoside?
You can request a quote for Isocytisoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocytisoside?
Yes, KEHONG BIO provides custom synthesis services for Isocytisoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.