phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate
TL;DR: phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate (CAS 121507-66-2) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-oxo-2,3-dihydropyridine-1-carboxylate
Also Known As: phenyl 4-oxo-2,3-dihydropyridine-1-carboxylate, phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate, J1.793.597F, AN-967/15488295, phenyl 4-oxo-1,2,3,4-tetrahydropyridine-1-carboxylate
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.9739 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 425.14984 |
Chemical Identifiers
| CAS Number | 121507-66-2 |
|---|---|
| SMILES | C1CN(C=CC1=O)C(=O)OC2=CC=CC=C2 |
Product Overview
phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate (CAS 121507-66-2), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: phenyl 4-oxo-2,3-dihydropyridine-1-carboxylate.
Chemical Property Profile of phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate
Property Insights of phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate
The XLogP value of 1.9739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate. With a topological polar surface area (TPSA) of 46.61 Ų, phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate 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 phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate?
The CAS number of phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate is 121507-66-2.
What is the molecular formula of phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate?
The molecular formula of phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate is C12H11NO3.
What is the molecular weight of phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate?
The molecular weight of phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate is 217.07 g/mol.
Where can I buy phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate?
You can request a quote for phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for phenyl 4-oxo-3,4-dihydro-1(2H)-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.