Acetanilide, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1)
TL;DR: Acetanilide, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1) (CAS 23258-72-2) is a chemical compound with molecular formula C17H22N2O5 and molecular weight 334.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-hydroxy-4-oxobut-2-enoate;N-(1-methylpyrrolidin-1-ium-3-yl)-N-phenylacetamide
Also Known As: N-(1-Methyl-3-pyrrolidinyl)acetanilide fumarate (1:1), ACETANILIDE, N-(1-METHYL-3-PYRROLIDINYL)-, FUMARATE (1:1), (E)-4-hydroxy-4-oxobut-2-enoate; N-(1-methylpyrrolidin-1-ium-3-yl)-N-phenylacetamide, RefChem:1075481
| Molecular Formula | C17H22N2O5 |
|---|---|
| Molecular Weight | 334.15 g/mol |
| LogP | -1.2964 |
| Topological Polar Surface Area | 102.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.15286 |
| Heavy Atoms | 24 |
| Complexity | 584.2583 |
Chemical Identifiers
| CAS Number | 23258-72-2 |
|---|---|
| SMILES | CC(=O)N(C1CC[NH+](C1)C)C2=CC=CC=C2.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
Acetanilide, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1) (CAS 23258-72-2), with molecular formula C17H22N2O5 and molecular weight 334.15 g/mol. IUPAC: (E)-4-hydroxy-4-oxobut-2-enoate;N-(1-methylpyrrolidin-1-ium-3-yl)-N-phenylacetamide.
Chemical Property Profile of Acetanilide, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1)
Property Insights of Acetanilide, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1)
The XLogP value of -1.2964 indicates that Acetanilide, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetanilide, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1). Following Lipinski's Rule of Five, Acetanilide, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1) has 2 hydrogen bond donor(s) and 4 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, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1)?
The CAS number of Acetanilide, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1) is 23258-72-2.
What is the molecular formula of Acetanilide, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1)?
The molecular formula of Acetanilide, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1) is C17H22N2O5.
What is the molecular weight of Acetanilide, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1)?
The molecular weight of Acetanilide, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1) is 334.15 g/mol.
Where can I buy Acetanilide, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1)?
You can request a quote for Acetanilide, N-(1-methyl-3-pyrrolidinyl)-, fumarate (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, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Acetanilide, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.