Methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
TL;DR: Methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate (CAS 312586-30-4) is a chemical compound with molecular formula C14H14BrNO3 and molecular weight 323.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: BIM-0022954.P001, methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, METHYL 4-(2-BROMOPHENYL)-2-METHYL-6-OXO-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE, methyl 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
| Molecular Formula | C14H14BrNO3 |
|---|---|
| Molecular Weight | 323.02 g/mol |
| LogP | 2.4996 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.01572 |
| Heavy Atoms | 19 |
| Complexity | 565.56445 |
Chemical Identifiers
| CAS Number | 312586-30-4 |
|---|---|
| SMILES | CC1=C(C(CC(=O)N1)C2=CC=CC=C2Br)C(=O)OC |
Product Overview
Methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate (CAS 312586-30-4), with molecular formula C14H14BrNO3 and molecular weight 323.02 g/mol. IUPAC: methyl 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of Methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Property Insights of Methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
The XLogP value of 2.4996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate has 1 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 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
The CAS number of Methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate is 312586-30-4.
What is the molecular formula of Methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
The molecular formula of Methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate is C14H14BrNO3.
What is the molecular weight of Methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
The molecular weight of Methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate is 323.02 g/mol.
Where can I buy Methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
You can request a quote for Methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-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 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-bromophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.