3'-Methoxypuerarin
TL;DR: 3'-Methoxypuerarin (CAS 1170474-15-3) is a chemical compound with molecular formula C22H22O10 and molecular weight 446.1213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Also Known As: 3'-Methoxypuerarin, Puerariaglycoside 3, 3''-methoxypuerarin, 3'-Methoxy puerarin, 3'-methoxy-puerarin
Technical Specifications
| Molecular Formula | C22H22O10 |
| Molecular Weight | 446.1213 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.1213 Da |
| Heavy Atoms | 32 |
| Complexity | 713.0 |
| SMILES | COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O |
| InChIKey | HQQUZVFMUSCUJS-PGPONNFDSA-N |
Chemical Property Profile of 3'-Methoxypuerarin
Property Insights of 3'-Methoxypuerarin
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Methoxypuerarin. The TPSA of 166.0 Ų indicates high polarity, suggesting 3'-Methoxypuerarin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Methoxypuerarin has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3'-Methoxypuerarin?
The CAS number of 3'-Methoxypuerarin is 1170474-15-3.
What is the molecular formula of 3'-Methoxypuerarin?
The molecular formula of 3'-Methoxypuerarin is C22H22O10.
What is the molecular weight of 3'-Methoxypuerarin?
The molecular weight of 3'-Methoxypuerarin is 446.1213 g/mol.
Where can I buy 3'-Methoxypuerarin?
You can request a quote for 3'-Methoxypuerarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3'-Methoxypuerarin?
Yes, CoreyChem provides custom synthesis services for 3'-Methoxypuerarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.