Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate
TL;DR: Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate (CAS 85467-35-2) is a chemical compound with molecular formula C23H33NO6 and molecular weight 419.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl-di(propan-2-yl)azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate, (Z)-2-((Bis(1-methylethyl)amino)methyl)-1-phenylcyclopropanecarboxylate ethyl ester maleate, CYCLOPROPANECARBOXYLIC ACID, 2-((BIS(1-METHYLETHYL)AMINO)METHYL)-1-PHENYL-, ETHY, [(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl-di(propan-2-yl)azanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1082772
| Molecular Formula | C23H33NO6 |
|---|---|
| Molecular Weight | 419.23 g/mol |
| LogP | 0.5862 |
| Topological Polar Surface Area | 108.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 419.23077 |
| Heavy Atoms | 30 |
| Complexity | 719.32007 |
Chemical Identifiers
| CAS Number | 85467-35-2 |
|---|---|
| SMILES | CCOC(=O)[C@@]1(C[C@@H]1C[NH+](C(C)C)C(C)C)C2=CC=CC=C2.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate (CAS 85467-35-2), with molecular formula C23H33NO6 and molecular weight 419.23 g/mol. IUPAC: [(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl-di(propan-2-yl)azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate
Property Insights of Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate
The XLogP value of 0.5862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate. The TPSA of 108.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate?
The CAS number of Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate is 85467-35-2.
What is the molecular formula of Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate?
The molecular formula of Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate is C23H33NO6.
What is the molecular weight of Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate?
The molecular weight of Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate is 419.23 g/mol.
Where can I buy Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate?
You can request a quote for Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropanecarboxylic acid, 2-((bis(1-methylethyl)amino)methyl)-1-phenyl-, ethyl ester, (Z)-, maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.