2-Fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
TL;DR: 2-Fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate (CAS 838810-98-3) is a chemical compound with molecular formula C19H18FNO3 and molecular weight 327.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-fluorophenyl)methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
Also Known As: 2-fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate, 2-fluorobenzyl 5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate, (2-fluorophenyl)methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate, 2-fluorobenzyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate
| Molecular Formula | C19H18FNO3 |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 3.23042 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.12708 |
| Heavy Atoms | 24 |
| Complexity | 757.46216 |
Chemical Identifiers
| CAS Number | 838810-98-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=CC=CC=C3F |
Product Overview
2-Fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate (CAS 838810-98-3), with molecular formula C19H18FNO3 and molecular weight 327.13 g/mol. IUPAC: (2-fluorophenyl)methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of 2-Fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
Property Insights of 2-Fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
The XLogP value of 3.23042 indicates that 2-Fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 2-Fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate has 0 hydrogen bond donor(s) and 3 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 2-Fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The CAS number of 2-Fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate is 838810-98-3.
What is the molecular formula of 2-Fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The molecular formula of 2-Fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate is C19H18FNO3.
What is the molecular weight of 2-Fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The molecular weight of 2-Fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate is 327.13 g/mol.
Where can I buy 2-Fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
You can request a quote for 2-Fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluorobenzyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.