(Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate
TL;DR: (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate (CAS 85467-60-3) is a chemical compound with molecular formula C20H27NO6 and molecular weight 377.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[[(1S,2R)-2-phenyl-2-propoxycarbonylcyclopropyl]methyl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate, Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, propyl ester, (Z)-, (E)-2-butenedioate (1:1), CYCLOPROPANECARBOXYLIC ACID, 2-((DIMETHYLAMINO)METHYL)-1-PHENYL-, PROPYL ESTER,, dimethyl-[[(1S,2R)-2-phenyl-2-propoxycarbonylcyclopropyl]methyl]azanium; (E)-4-hydroxy-4-oxobut-2-enoate, RefChem:1082775
| Molecular Formula | C20H27NO6 |
|---|---|
| Molecular Weight | 377.18 g/mol |
| LogP | -0.5809 |
| Topological Polar Surface Area | 108.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 377.18384 |
| Heavy Atoms | 27 |
| Complexity | 654.3093 |
Chemical Identifiers
| CAS Number | 85467-60-3 |
|---|---|
| SMILES | CCCOC(=O)[C@@]1(C[C@@H]1C[NH+](C)C)C2=CC=CC=C2.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
(Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate (CAS 85467-60-3), with molecular formula C20H27NO6 and molecular weight 377.18 g/mol. IUPAC: dimethyl-[[(1S,2R)-2-phenyl-2-propoxycarbonylcyclopropyl]methyl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate
Property Insights of (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate
The XLogP value of -0.5809 indicates that (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate. Following Lipinski's Rule of Five, (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate 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 (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate?
The CAS number of (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate is 85467-60-3.
What is the molecular formula of (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate?
The molecular formula of (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate is C20H27NO6.
What is the molecular weight of (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate?
The molecular weight of (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate is 377.18 g/mol.
Where can I buy (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate?
You can request a quote for (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid propyl ester fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.