Yuanhuanin
TL;DR: Yuanhuanin (CAS 83133-14-6) is a chemical compound with molecular formula C22H22O11 and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Yuanhuanin, 3'-Hydroxygenkwanin 5-O-beta-glucoside, 3'-hydroxy-genkwanin-5-O-beta-D-glucoside, Luteolin 7-methyl ether 5-O-beta-glucoside, J2.934.563E
| Molecular Formula | C22H22O11 |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.1162 |
| Heavy Atoms | 33 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 83133-14-6 |
|---|---|
| SMILES | COC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C=C(O2)C4=CC(=C(C=C4)O)O |
| InChIKey | ZXVSQQSRCKKYLS-MIUGBVLSSA-N |
Product Overview
Yuanhuanin (CAS 83133-14-6), with molecular formula C22H22O11 and molecular weight 462.12 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Yuanhuanin
Property Insights of Yuanhuanin
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Yuanhuanin. The TPSA of 175.0 Ų indicates high polarity, suggesting Yuanhuanin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Yuanhuanin has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Yuanhuanin?
The CAS number of Yuanhuanin is 83133-14-6.
What is the molecular formula of Yuanhuanin?
The molecular formula of Yuanhuanin is C22H22O11.
What is the molecular weight of Yuanhuanin?
The molecular weight of Yuanhuanin is 462.12 g/mol.
Where can I buy Yuanhuanin?
You can request a quote for Yuanhuanin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Yuanhuanin?
Yes, KEHONG BIO provides custom synthesis services for Yuanhuanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.