Acetanilide, 2-(p-chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)-, maleate (1:1)
TL;DR: Acetanilide, 2-(p-chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)-, maleate (1:1) (CAS 21787-62-2) is a chemical compound with molecular formula C23H25ClN2O6 and molecular weight 460.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)-N-(1-methylpyrrolidin-1-ium-3-yl)-N-phenylacetamide;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 2-(p-Chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)acetanilide maleate (1:1), ACETANILIDE, 2-(p-CHLOROPHENOXY)-N-(1-METHYL-3-PYRROLIDINYL)-, MALEATE (1:1), 2-(4-chlorophenoxy)-N-(1-methylpyrrolidin-1-ium-3-yl)-N-phenylacetamide; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1075457
| Molecular Formula | C23H25ClN2O6 |
|---|---|
| Molecular Weight | 460.14 g/mol |
| LogP | 0.4161 |
| Topological Polar Surface Area | 111.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.1401 |
| Heavy Atoms | 32 |
| Complexity | 917.26263 |
Chemical Identifiers
| CAS Number | 21787-62-2 |
|---|---|
| SMILES | C[NH+]1CCC(C1)N(C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)Cl.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
Acetanilide, 2-(p-chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)-, maleate (1:1) (CAS 21787-62-2), with molecular formula C23H25ClN2O6 and molecular weight 460.14 g/mol. IUPAC: 2-(4-chlorophenoxy)-N-(1-methylpyrrolidin-1-ium-3-yl)-N-phenylacetamide;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of Acetanilide, 2-(p-chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)-, maleate (1:1)
Property Insights of Acetanilide, 2-(p-chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)-, maleate (1:1)
The XLogP value of 0.4161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetanilide, 2-(p-chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)-, maleate (1:1). The TPSA of 111.41 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetanilide, 2-(p-chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)-, maleate (1:1). Following Lipinski's Rule of Five, Acetanilide, 2-(p-chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)-, maleate (1:1) 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 Acetanilide, 2-(p-chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)-, maleate (1:1)?
The CAS number of Acetanilide, 2-(p-chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)-, maleate (1:1) is 21787-62-2.
What is the molecular formula of Acetanilide, 2-(p-chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)-, maleate (1:1)?
The molecular formula of Acetanilide, 2-(p-chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)-, maleate (1:1) is C23H25ClN2O6.
What is the molecular weight of Acetanilide, 2-(p-chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)-, maleate (1:1)?
The molecular weight of Acetanilide, 2-(p-chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)-, maleate (1:1) is 460.14 g/mol.
Where can I buy Acetanilide, 2-(p-chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)-, maleate (1:1)?
You can request a quote for Acetanilide, 2-(p-chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)-, maleate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetanilide, 2-(p-chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)-, maleate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Acetanilide, 2-(p-chlorophenoxy)-N-(1-methyl-3-pyrrolidinyl)-, maleate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.