Aloe resin A
TL;DR: Aloe resin A (CAS 74545-79-2) is a chemical compound with molecular formula C28H28O11 and molecular weight 540.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: Aloeresin A, Aloe resin A, Aloeresin A [MI], 2''-O-p-Coumaroylaloesin, [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
| Molecular Formula | C28H28O11 |
|---|---|
| Molecular Weight | 540.16 g/mol |
| LogP | 1.42332 |
| Topological Polar Surface Area | 183.96 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.16315 |
| Heavy Atoms | 39 |
| Complexity | 1471.593 |
Chemical Identifiers
| CAS Number | 74545-79-2 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)O |
Product Overview
Aloe resin A (CAS 74545-79-2), with molecular formula C28H28O11 and molecular weight 540.16 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Aloe resin A
Property Insights of Aloe resin A
The XLogP value of 1.42332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aloe resin A. The TPSA of 183.96 Ų indicates high polarity, suggesting Aloe resin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aloe resin A has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aloe resin A?
The CAS number of Aloe resin A is 74545-79-2.
What is the molecular formula of Aloe resin A?
The molecular formula of Aloe resin A is C28H28O11.
What is the molecular weight of Aloe resin A?
The molecular weight of Aloe resin A is 540.16 g/mol.
Where can I buy Aloe resin A?
You can request a quote for Aloe resin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aloe resin A?
Yes, KEHONG BIO provides custom synthesis services for Aloe resin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.