5-bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide
TL;DR: 5-bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide (CAS 107188-68-1) is a chemical compound with molecular formula C21H24BrFN2O3 and molecular weight 450.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide
Also Known As: Ncq 115, 5-bromo-N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide, 5-Bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide, 5-bromo-N-{[1-(4-fluorobenzyl)pyrrolidin-2-yl]methyl}-2,3-dimethoxybenzamide, 5-Bromo-2,3-dimethoxy-N-((1-((2,5-3H)-4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide
| Molecular Formula | C21H24BrFN2O3 |
|---|---|
| Molecular Weight | 450.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.09543 |
| Heavy Atoms | 28 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 107188-68-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)C(=O)NCC2CCCN2CC3=CC=C(C=C3)F)Br |
| InChIKey | OHMIBGFTDCPQGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide (CAS 107188-68-1), with molecular formula C21H24BrFN2O3 and molecular weight 450.10 g/mol. IUPAC: 5-bromo-N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide.
Chemical Property Profile of 5-bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide
Property Insights of 5-bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide
The XLogP value of 4.0 indicates that 5-bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 5-bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide has 1 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 5-bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide?
The CAS number of 5-bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide is 107188-68-1.
What is the molecular formula of 5-bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide?
The molecular formula of 5-bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide is C21H24BrFN2O3.
What is the molecular weight of 5-bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide?
The molecular weight of 5-bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide is 450.10 g/mol.
Where can I buy 5-bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide?
You can request a quote for 5-bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-2,3-dimethoxy-N-((1-(4-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.