![Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate structure](/static/products/672/672283-53-3.png)
Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
TL;DR: Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate (CAS 672283-53-3) is a chemical compound with molecular formula C16H16BrNO5 and molecular weight 381.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
Also Known As: 5-bromo-6-keto-1-veratryl-nicotinic acid methyl ester, methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate, methyl 5-bromo-1-(3,4-dimethoxybenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylate, 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxo-3-pyridinecarboxylic acid methyl ester, methyl 5-bromanyl-1-[(3,4-dimethoxyphenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate
| Molecular Formula | C16H16BrNO5 |
|---|---|
| Molecular Weight | 381.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.02118 |
| Heavy Atoms | 23 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 672283-53-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2C=C(C=C(C2=O)Br)C(=O)OC)OC |
| InChIKey | KYPSKTLCRCBHDD-UHFFFAOYSA-N |
Product Overview
Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate (CAS 672283-53-3), with molecular formula C16H16BrNO5 and molecular weight 381.02 g/mol. IUPAC: methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate.
Chemical Property Profile of Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
Property Insights of Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate. Following Lipinski's Rule of Five, Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate has 0 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 Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate?
The CAS number of Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate is 672283-53-3.
What is the molecular formula of Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate?
The molecular formula of Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate is C16H16BrNO5.
What is the molecular weight of Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate?
The molecular weight of Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate is 381.02 g/mol.
Where can I buy Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate?
You can request a quote for Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-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 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.