Methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate
TL;DR: Methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate (CAS 160693-52-7) is a chemical compound with molecular formula C12H12BrNO3 and molecular weight 297.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate
Also Known As: methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate, ZERO/005728, BAS 00729391, methyl1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate, methyl 1-(4-bromophenyl)-5-oxo-pyrrolidine-3-carboxylate
| Molecular Formula | C12H12BrNO3 |
|---|---|
| Molecular Weight | 297.00 g/mol |
| LogP | 1.975 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.00006 |
| Heavy Atoms | 17 |
| Complexity | 443.56888 |
Chemical Identifiers
| CAS Number | 160693-52-7 |
|---|---|
| SMILES | COC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)Br |
Product Overview
Methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate (CAS 160693-52-7), with molecular formula C12H12BrNO3 and molecular weight 297.00 g/mol. IUPAC: methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of Methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate
Property Insights of Methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate
The XLogP value of 1.975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate. With a topological polar surface area (TPSA) of 46.61 Ų, Methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-(4-bromophenyl)-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 Methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate?
The CAS number of Methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate is 160693-52-7.
What is the molecular formula of Methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate?
The molecular formula of Methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate is C12H12BrNO3.
What is the molecular weight of Methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate?
The molecular weight of Methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate is 297.00 g/mol.
Where can I buy Methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate?
You can request a quote for Methyl 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 Methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.