2'',3''-Di-O-p-coumaroylafzelin
TL;DR: 2'',3''-Di-O-p-coumaroylafzelin (CAS 133740-25-7) is a chemical compound with molecular formula C39H32O14 and molecular weight 724.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: Platanoside, 2'',3''-Di-O-p-coumaroylafzelin, Neolitsea aciculata extract, 5, [2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate, 2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-5-hydroxy-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-6-methyloxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
| Molecular Formula | C39H32O14 |
|---|---|
| Molecular Weight | 724.18 g/mol |
| LogP | 4.7229 |
| Topological Polar Surface Area | 222.65 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 724.1792 |
| Heavy Atoms | 53 |
| Complexity | 2238.8533 |
Chemical Identifiers
| CAS Number | 133740-25-7 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)OC(=O)/C=C/C5=CC=C(C=C5)O)OC(=O)/C=C/C6=CC=C(C=C6)O)O |
Product Overview
2'',3''-Di-O-p-coumaroylafzelin (CAS 133740-25-7), with molecular formula C39H32O14 and molecular weight 724.18 g/mol. IUPAC: [2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of 2'',3''-Di-O-p-coumaroylafzelin
Property Insights of 2'',3''-Di-O-p-coumaroylafzelin
The XLogP value of 4.7229 indicates that 2'',3''-Di-O-p-coumaroylafzelin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 222.65 Ų indicates high polarity, suggesting 2'',3''-Di-O-p-coumaroylafzelin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'',3''-Di-O-p-coumaroylafzelin has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'',3''-Di-O-p-coumaroylafzelin?
The CAS number of 2'',3''-Di-O-p-coumaroylafzelin is 133740-25-7.
What is the molecular formula of 2'',3''-Di-O-p-coumaroylafzelin?
The molecular formula of 2'',3''-Di-O-p-coumaroylafzelin is C39H32O14.
What is the molecular weight of 2'',3''-Di-O-p-coumaroylafzelin?
The molecular weight of 2'',3''-Di-O-p-coumaroylafzelin is 724.18 g/mol.
Where can I buy 2'',3''-Di-O-p-coumaroylafzelin?
You can request a quote for 2'',3''-Di-O-p-coumaroylafzelin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'',3''-Di-O-p-coumaroylafzelin?
Yes, KEHONG BIO provides custom synthesis services for 2'',3''-Di-O-p-coumaroylafzelin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.