![4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid structure](/static/products/672/672888-05-0.png)
4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid
TL;DR: 4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid (CAS 672888-05-0) is a chemical compound with molecular formula C15H12BrNO5 and molecular weight 364.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)methyl]benzoic acid
Also Known As: 4-[(3-bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid, 4-[(3-bromo-5-carbomethoxy-2-keto-1-pyridyl)methyl]benzoic acid, 4-((3-bromo-5-(methoxycarbonyl)-2-oxopyridin-1(2H)-yl)methyl)benzoic acid, 4-[(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)methyl]benzoic acid, 4-{[3-bromo-5-(methoxycarbonyl)-2-oxopyridin-1(2H)-yl]methyl}benzoic acid
| Molecular Formula | C15H12BrNO5 |
|---|---|
| Molecular Weight | 364.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.9899 |
| Heavy Atoms | 22 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 672888-05-0 |
|---|---|
| SMILES | COC(=O)C1=CN(C(=O)C(=C1)Br)CC2=CC=C(C=C2)C(=O)O |
| InChIKey | DWLRRWJAGWDNHZ-UHFFFAOYSA-N |
Product Overview
4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid (CAS 672888-05-0), with molecular formula C15H12BrNO5 and molecular weight 364.99 g/mol. IUPAC: 4-[(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)methyl]benzoic acid.
Chemical Property Profile of 4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid
Property Insights of 4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid has 1 hydrogen bond donor(s) and 5 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 4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid?
The CAS number of 4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid is 672888-05-0.
What is the molecular formula of 4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid?
The molecular formula of 4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid is C15H12BrNO5.
What is the molecular weight of 4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid?
The molecular weight of 4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid is 364.99 g/mol.
Where can I buy 4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid?
You can request a quote for 4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.