11P-824
TL;DR: 11P-824 (CAS 477709-40-3) is a chemical compound with molecular formula C26H31N5O6 and molecular weight 509.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-amino-1-(1,3-benzodioxol-5-yl)-2,4,4-tricyanobut-3-enyl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate;triethylazanium
Also Known As: 11P-824, 2-amino-4-(1,3-benzodioxol-5-yl)-4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)- 1-butene-1,1,3-tricarbonitrile, triethylamine salt, 2-amino-3-[(2H-1,3-benzodioxol-5-yl)(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)methyl]prop-1-ene-1,1,3-tricarbonitrile; triethylamine, 5-[3-amino-1-(1,3-benzodioxol-5-yl)-2,4,4-tricyanobut-3-enyl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate; triethylazanium
| Molecular Formula | C26H31N5O6 |
|---|---|
| Molecular Weight | 509.23 g/mol |
| LogP | 0.71104 |
| Topological Polar Surface Area | 178.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.22745 |
| Heavy Atoms | 37 |
| Complexity | 1175.77 |
Chemical Identifiers
| CAS Number | 477709-40-3 |
|---|---|
| SMILES | CC[NH+](CC)CC.CC1(OC(=C(C(=O)O1)C(C2=CC3=C(C=C2)OCO3)C(C#N)C(=C(C#N)C#N)N)[O-])C |
Product Overview
11P-824 (CAS 477709-40-3), with molecular formula C26H31N5O6 and molecular weight 509.23 g/mol. IUPAC: 5-[3-amino-1-(1,3-benzodioxol-5-yl)-2,4,4-tricyanobut-3-enyl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate;triethylazanium.
Chemical Property Profile of 11P-824
Property Insights of 11P-824
The XLogP value of 0.71104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11P-824. The TPSA of 178.88 Ų indicates high polarity, suggesting 11P-824 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11P-824 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11P-824?
The CAS number of 11P-824 is 477709-40-3.
What is the molecular formula of 11P-824?
The molecular formula of 11P-824 is C26H31N5O6.
What is the molecular weight of 11P-824?
The molecular weight of 11P-824 is 509.23 g/mol.
Where can I buy 11P-824?
You can request a quote for 11P-824 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11P-824?
Yes, KEHONG BIO provides custom synthesis services for 11P-824 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.