beradilol monoethyl maleate
TL;DR: beradilol monoethyl maleate (CAS 114856-47-2) is a chemical compound with molecular formula C31H38ClN5O7 and molecular weight 627.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[2-hydroxy-3-[[2-methyl-1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]amino]propoxy]benzonitrile;4-ethoxy-4-oxobut-2-enoic acid
Also Known As: beradilol monoethyl maleate, 4-Chloro-2-[2-hydroxy-3-[[2-methyl-1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]amino]propoxy]benzonitrile,(Z)-4-ethoxy-4-oxobut-2-enoic acid, 4-Chloro-2-[2-hydroxy-3-[[2-methyl-1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]amino]propoxy]benzonitrile;4-ethoxy-4-oxobut-2-enoic acid
| Molecular Formula | C31H38ClN5O7 |
|---|---|
| Molecular Weight | 627.25 g/mol |
| LogP | 3.48208 |
| Topological Polar Surface Area | 182.37 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 627.246 |
| Heavy Atoms | 44 |
| Complexity | 1386.7712 |
Chemical Identifiers
| CAS Number | 114856-47-2 |
|---|---|
| SMILES | CCOC(=O)C=CC(=O)O.CC1CC(=O)NN=C1C2=CC=C(C=C2)NCC(C)(C)NCC(COC3=C(C=CC(=C3)Cl)C#N)O |
Product Overview
beradilol monoethyl maleate (CAS 114856-47-2), with molecular formula C31H38ClN5O7 and molecular weight 627.25 g/mol. IUPAC: 4-chloro-2-[2-hydroxy-3-[[2-methyl-1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]amino]propoxy]benzonitrile;4-ethoxy-4-oxobut-2-enoic acid.
Chemical Property Profile of beradilol monoethyl maleate
Property Insights of beradilol monoethyl maleate
The XLogP value of 3.48208 indicates that beradilol monoethyl maleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 182.37 Ų indicates high polarity, suggesting beradilol monoethyl maleate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beradilol monoethyl maleate has 5 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 beradilol monoethyl maleate?
The CAS number of beradilol monoethyl maleate is 114856-47-2.
What is the molecular formula of beradilol monoethyl maleate?
The molecular formula of beradilol monoethyl maleate is C31H38ClN5O7.
What is the molecular weight of beradilol monoethyl maleate?
The molecular weight of beradilol monoethyl maleate is 627.25 g/mol.
Where can I buy beradilol monoethyl maleate?
You can request a quote for beradilol monoethyl maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beradilol monoethyl maleate?
Yes, KEHONG BIO provides custom synthesis services for beradilol monoethyl maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.