菊红苷
TL;DR: 菊红苷 (CAS 7084-24-4) is a chemical compound with molecular formula C21H21O11+ and molecular weight 449.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
菊红苷
(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: KUROMANIN, Cyanidin 3-glucoside, Chrysanthemin, Chrysanthemin cation, Glucocyanidin
| Molecular Formula | C21H21O11+ |
|---|---|
| Molecular Weight | 449.11 g/mol |
| LogP | 0.382 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.1084 |
| Heavy Atoms | 32 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 7084-24-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O |
| InChIKey | RKWHWFONKJEUEF-GQUPQBGVSA-O |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
菊红苷 (CAS 7084-24-4), with molecular formula C21H21O11+ and molecular weight 449.11 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of 菊红苷
Property Insights of 菊红苷
The XLogP value of 0.382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 菊红苷. The TPSA of 181.0 Ų indicates high polarity, suggesting 菊红苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 菊红苷 has 8 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 菊红苷?
The CAS number of 菊红苷 is 7084-24-4.
What is the molecular formula of 菊红苷?
The molecular formula of 菊红苷 is C21H21O11+.
What is the molecular weight of 菊红苷?
The molecular weight of 菊红苷 is 449.11 g/mol.
Where can I buy 菊红苷?
You can request a quote for 菊红苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 菊红苷?
Yes, KEHONG BIO provides custom synthesis services for 菊红苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.