2''-p-Coumarylastragalin
TL;DR: 2''-p-Coumarylastragalin (CAS 137018-32-7) is a chemical compound with molecular formula C30H26O13 and molecular weight 594.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: 2''-p-Coumarylastragalin, MEGxp0_000397, Kaempferol-3-Glucoside-2''-p-coumaroyl, kaempferol-3-(2-p-comaroyl) glucoside, 2 -O-(E-4-Hydroxycinnamoyl)astragalin
| Molecular Formula | C30H26O13 |
|---|---|
| Molecular Weight | 594.14 g/mol |
| LogP | 1.7254 |
| Topological Polar Surface Area | 216.58 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 594.1373 |
| Heavy Atoms | 43 |
| Complexity | 1709.843 |
Chemical Identifiers
| CAS Number | 137018-32-7 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O |
Product Overview
2''-p-Coumarylastragalin (CAS 137018-32-7), with molecular formula C30H26O13 and molecular weight 594.14 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of 2''-p-Coumarylastragalin
Property Insights of 2''-p-Coumarylastragalin
The XLogP value of 1.7254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2''-p-Coumarylastragalin. The TPSA of 216.58 Ų indicates high polarity, suggesting 2''-p-Coumarylastragalin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2''-p-Coumarylastragalin has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2''-p-Coumarylastragalin?
The CAS number of 2''-p-Coumarylastragalin is 137018-32-7.
What is the molecular formula of 2''-p-Coumarylastragalin?
The molecular formula of 2''-p-Coumarylastragalin is C30H26O13.
What is the molecular weight of 2''-p-Coumarylastragalin?
The molecular weight of 2''-p-Coumarylastragalin is 594.14 g/mol.
Where can I buy 2''-p-Coumarylastragalin?
You can request a quote for 2''-p-Coumarylastragalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2''-p-Coumarylastragalin?
Yes, KEHONG BIO provides custom synthesis services for 2''-p-Coumarylastragalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.