![5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid structure](/static/products/866/866008-07-3.png)
5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid
TL;DR: 5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid (CAS 866008-07-3) is a chemical compound with molecular formula C13H12BrNO4 and molecular weight 324.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-bromophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid
Also Known As: 5-[(3-bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid, 5-[(3-bromophenyl)methoxy]-6-oxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid, 5-[(3-bromophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid, 3-[(3-bromophenyl)methoxy]-2-oxo-5,6-dihydro-1H-pyridine-4-carboxylic Acid, 5-[(3-bromophenyl)methoxy]-6-oxo-1,2,3,6-tetrahydropyridine-4-carboxylicacid
| Molecular Formula | C13H12BrNO4 |
|---|---|
| Molecular Weight | 324.99 g/mol |
| LogP | 1.8243 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.99496 |
| Heavy Atoms | 19 |
| Complexity | 553.3291 |
Chemical Identifiers
| CAS Number | 866008-07-3 |
|---|---|
| SMILES | C1CNC(=O)C(=C1C(=O)O)OCC2=CC(=CC=C2)Br |
Product Overview
5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid (CAS 866008-07-3), with molecular formula C13H12BrNO4 and molecular weight 324.99 g/mol. IUPAC: 5-[(3-bromophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid.
Chemical Property Profile of 5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid
Property Insights of 5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid
The XLogP value of 1.8243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid. Following Lipinski's Rule of Five, 5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid has 2 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 5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid?
The CAS number of 5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid is 866008-07-3.
What is the molecular formula of 5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid?
The molecular formula of 5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid is C13H12BrNO4.
What is the molecular weight of 5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid?
The molecular weight of 5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid is 324.99 g/mol.
Where can I buy 5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid?
You can request a quote for 5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3-Bromobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.