Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside
TL;DR: Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside (CAS 105815-90-5) is a chemical compound with molecular formula C30H26O12 and molecular weight 578.14246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: Echinacin, Acbglu, Terniflorin, Echinacin(glycoside), ECHINACIN (GLYCOSIDE)
Technical Specifications
| Molecular Formula | C30H26O12 |
| Molecular Weight | 578.14246 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 192.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 578.14246 Da |
| Heavy Atoms | 42 |
| Complexity | 998.0 |
| SMILES | C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O |
| InChIKey | WPQRDUGBKUNFJW-ZZSHFKPLSA-N |
Chemical Property Profile of Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside
Property Insights of Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside. The TPSA of 192.0 Ų indicates high polarity, suggesting Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside?
The CAS number of Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside is 105815-90-5.
What is the molecular formula of Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside?
The molecular formula of Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside is C30H26O12.
What is the molecular weight of Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside?
The molecular weight of Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside is 578.14246 g/mol.
Where can I buy Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside?
You can request a quote for Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside?
Yes, CoreyChem provides custom synthesis services for Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.