Benzanilide, 4-chloro-N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1)
TL;DR: Benzanilide, 4-chloro-N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1) (CAS 21787-63-3) is a chemical compound with molecular formula C22H23ClN2O5 and molecular weight 430.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;4-chloro-N-(1-methylpyrrolidin-3-yl)-N-phenylbenzamide
Also Known As: 4-Chloro-N-(1-methyl-3-pyrrolidinyl)benzanilide fumarate (1:1), Benzanilide, 4-chloro-N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1), (E)-but-2-enedioic acid; 4-chloro-N-(1-methylpyrrolidin-3-yl)-N-phenylbenzamide, RefChem:1078153
| Molecular Formula | C22H23ClN2O5 |
|---|---|
| Molecular Weight | 430.13 g/mol |
| LogP | 3.4027 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.12955 |
| Heavy Atoms | 30 |
| Complexity | 883.5037 |
Chemical Identifiers
| CAS Number | 21787-63-3 |
|---|---|
| SMILES | CN1CCC(C1)N(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
Benzanilide, 4-chloro-N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1) (CAS 21787-63-3), with molecular formula C22H23ClN2O5 and molecular weight 430.13 g/mol. IUPAC: (E)-but-2-enedioic acid;4-chloro-N-(1-methylpyrrolidin-3-yl)-N-phenylbenzamide.
Chemical Property Profile of Benzanilide, 4-chloro-N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1)
Property Insights of Benzanilide, 4-chloro-N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1)
The XLogP value of 3.4027 indicates that Benzanilide, 4-chloro-N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzanilide, 4-chloro-N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1). Following Lipinski's Rule of Five, Benzanilide, 4-chloro-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 Benzanilide, 4-chloro-N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1)?
The CAS number of Benzanilide, 4-chloro-N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1) is 21787-63-3.
What is the molecular formula of Benzanilide, 4-chloro-N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1)?
The molecular formula of Benzanilide, 4-chloro-N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1) is C22H23ClN2O5.
What is the molecular weight of Benzanilide, 4-chloro-N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1)?
The molecular weight of Benzanilide, 4-chloro-N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1) is 430.13 g/mol.
Where can I buy Benzanilide, 4-chloro-N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1)?
You can request a quote for Benzanilide, 4-chloro-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 Benzanilide, 4-chloro-N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzanilide, 4-chloro-N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.