Methyl 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
TL;DR: Methyl 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate (CAS 673438-41-0) is a chemical compound with molecular formula C11H14BrNO3 and molecular weight 287.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-1-(2-methylpropyl)-6-oxopyridine-3-carboxylate
Also Known As: methyl 5-bromo-1-(2-methylpropyl)-6-oxopyridine-3-carboxylate, methyl 5-bromo-1-isobutyl-6-oxo-1,6-dihydropyridine-3-carboxylate, methyl 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
| Molecular Formula | C11H14BrNO3 |
|---|---|
| Molecular Weight | 287.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.01572 |
| Heavy Atoms | 16 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 673438-41-0 |
|---|---|
| SMILES | CC(C)CN1C=C(C=C(C1=O)Br)C(=O)OC |
| InChIKey | DPLJCPROGIZEAF-UHFFFAOYSA-N |
Product Overview
Methyl 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate (CAS 673438-41-0), with molecular formula C11H14BrNO3 and molecular weight 287.02 g/mol. IUPAC: methyl 5-bromo-1-(2-methylpropyl)-6-oxopyridine-3-carboxylate.
Chemical Property Profile of Methyl 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
Property Insights of Methyl 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, Methyl 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-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 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate?
The CAS number of Methyl 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate is 673438-41-0.
What is the molecular formula of Methyl 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate?
The molecular formula of Methyl 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate is C11H14BrNO3.
What is the molecular weight of Methyl 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate?
The molecular weight of Methyl 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate is 287.02 g/mol.
Where can I buy Methyl 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate?
You can request a quote for Methyl 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-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-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.