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 578.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(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)
| Molecular Formula | C30H26O12 |
|---|---|
| Molecular Weight | 578.14 g/mol |
| LogP | 2.0198 |
| Topological Polar Surface Area | 196.35 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 578.14246 |
| Heavy Atoms | 42 |
| Complexity | 1659.2695 |
Chemical Identifiers
| CAS Number | 105815-90-5 |
|---|---|
| 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 |
Product Overview
Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside (CAS 105815-90-5), with molecular formula C30H26O12 and molecular weight 578.14 g/mol. IUPAC: [(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.
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 2.0198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside. The TPSA of 196.35 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
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 578.14 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside?
Yes, KEHONG BIO 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.