Isonox
TL;DR: Isonox (CAS 56335-22-9) is a chemical compound with molecular formula C47H53ClN4O12 and molecular weight 900.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-but-2-enedioic acid);2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]ethanol;2-methyl-3-(2-methylphenyl)quinazolin-4-one
Also Known As: Isonox, (Z)-but-2-enedioic acid;2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]ethanol;2-methyl-3-(2-methylphenyl)quinazolin-4-one, (Z)-but-2-enedioic acid; 2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]ethanol; 2-methyl-3-(2-methylphenyl)quinazolin-4-one, 2-methyl-3-(2-methylphenyl)-4(3H)-quinazolinone mixt. with 2-(2-(2-(4-((4-chlorophenyl)phenyl methyl)-1-piperazinyl)ethoxy)ethoxy)ethanol(Z)-2-butenedioate (1:2) (salt), 2-Methyl-3-(2-methylphenyl)-4(3H)-quinazolinone mixt. with 2-(2-(2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)ethoxy)ethanol (Z)-2-butenedioate (1:2) (salt)
| Molecular Formula | C47H53ClN4O12 |
|---|---|
| Molecular Weight | 900.33 g/mol |
| LogP | 5.49864 |
| Topological Polar Surface Area | 229.26 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Exact Mass | 900.33484 |
| Heavy Atoms | 64 |
| Complexity | 2298.0835 |
Chemical Identifiers
| CAS Number | 56335-22-9 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C.C1N(CCN(C1)C(C2=CC=C(C=C2)Cl)C3=CC=CC=C3)CCOCCOCCO.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
Isonox (CAS 56335-22-9), with molecular formula C47H53ClN4O12 and molecular weight 900.33 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]ethanol;2-methyl-3-(2-methylphenyl)quinazolin-4-one.
Chemical Property Profile of Isonox
Property Insights of Isonox
The XLogP value of 5.49864 indicates that Isonox is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 229.26 Ų indicates high polarity, suggesting Isonox may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isonox 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 Isonox?
The CAS number of Isonox is 56335-22-9.
What is the molecular formula of Isonox?
The molecular formula of Isonox is C47H53ClN4O12.
What is the molecular weight of Isonox?
The molecular weight of Isonox is 900.33 g/mol.
Where can I buy Isonox?
You can request a quote for Isonox directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonox?
Yes, KEHONG BIO provides custom synthesis services for Isonox and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.