1-(4-Bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
TL;DR: 1-(4-Bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 443636-62-2) 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.
1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Also Known As: 1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid, A2620/0111469, 3-pyrrolidinecarboxylic acid, 1-(4-bromo-2-methylphenyl)-5-oxo-, 1-(4-BROMO-2-METHYLPHENYL)-5-OXO-3-PYRROLIDINECARBOXYLIC ACID, 1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylicacid
| Molecular Formula | C12H12BrNO3 |
|---|---|
| Molecular Weight | 297.00 g/mol |
| LogP | 2.19502 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.00006 |
| Heavy Atoms | 17 |
| Complexity | 486.63913 |
Chemical Identifiers
| CAS Number | 443636-62-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)N2CC(CC2=O)C(=O)O |
Product Overview
1-(4-Bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 443636-62-2), with molecular formula C12H12BrNO3 and molecular weight 297.00 g/mol. IUPAC: 1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid.
Chemical Property Profile of 1-(4-Bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Property Insights of 1-(4-Bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
The XLogP value of 2.19502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 1-(4-Bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid has 1 hydrogen bond donor(s) and 2 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-Bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The CAS number of 1-(4-Bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid is 443636-62-2.
What is the molecular formula of 1-(4-Bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular formula of 1-(4-Bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid is C12H12BrNO3.
What is the molecular weight of 1-(4-Bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular weight of 1-(4-Bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid is 297.00 g/mol.
Where can I buy 1-(4-Bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
You can request a quote for 1-(4-Bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromo-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.