![Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate structure](/static/products/4729/472979-68-3.webp)
Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate
TL;DR: Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate (CAS 472979-68-3) is a chemical compound with molecular formula C19H17FN2O4 and molecular weight 356.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-[(4-fluorophenyl)methylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: BAS 01268165, AB00101280-01, AJ-292/13607016, methyl 4-[3-[(4-fluorophenyl)methylamino]-2,5-dioxopyrrolidin-1-yl]benzoate, methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate
| Molecular Formula | C19H17FN2O4 |
|---|---|
| Molecular Weight | 356.12 g/mol |
| LogP | 2.034 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.11725 |
| Heavy Atoms | 26 |
| Complexity | 833.62256 |
Chemical Identifiers
| CAS Number | 472979-68-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC3=CC=C(C=C3)F |
Product Overview
Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate (CAS 472979-68-3), with molecular formula C19H17FN2O4 and molecular weight 356.12 g/mol. IUPAC: methyl 4-[3-[(4-fluorophenyl)methylamino]-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate
Property Insights of Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate
The XLogP value of 2.034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate. Following Lipinski's Rule of Five, Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate 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 Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate?
The CAS number of Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate is 472979-68-3.
What is the molecular formula of Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate?
The molecular formula of Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate is C19H17FN2O4.
What is the molecular weight of Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate?
The molecular weight of Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate is 356.12 g/mol.
Where can I buy Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate?
You can request a quote for Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{3-[(4-fluorobenzyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.