1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate
TL;DR: 1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate (CAS 847478-79-9) is a chemical compound with molecular formula C21H20BrNO4 and molecular weight 429.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-methylphenyl)-1-oxopropan-2-yl] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate
Also Known As: 1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate, 1-methyl-2-(4-methylphenyl)-2-oxoethyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate, [1-(4-methylphenyl)-1-oxopropan-2-yl] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate, [1-(4-methylphenyl)-1-oxo-propan-2-yl] 1-(4-bromophenyl)-5-oxo-pyrrolidine-3-carboxylate, 1-methyl-2-(4-methylphenyl)-2-oxoethyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-ca rboxylate
| Molecular Formula | C21H20BrNO4 |
|---|---|
| Molecular Weight | 429.06 g/mol |
| LogP | 3.92502 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.05756 |
| Heavy Atoms | 27 |
| Complexity | 860.75525 |
Chemical Identifiers
| CAS Number | 847478-79-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Br |
Product Overview
1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate (CAS 847478-79-9), with molecular formula C21H20BrNO4 and molecular weight 429.06 g/mol. IUPAC: [1-(4-methylphenyl)-1-oxopropan-2-yl] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of 1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate
Property Insights of 1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate
The XLogP value of 3.92502 indicates that 1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate. Following Lipinski's Rule of Five, 1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate has 0 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 1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate?
The CAS number of 1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate is 847478-79-9.
What is the molecular formula of 1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate?
The molecular formula of 1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate is C21H20BrNO4.
What is the molecular weight of 1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate?
The molecular weight of 1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate is 429.06 g/mol.
Where can I buy 1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate?
You can request a quote for 1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-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 1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methylphenyl)-1-oxopropan-2-yl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.