4-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate
TL;DR: 4-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate (CAS 133828-97-4) is a chemical compound with molecular formula C17H12ClN3O2 and molecular weight 325.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-chlorophenyl)-2,6-dioxo-5-pyridin-1-ium-1-ylpiperidin-3-ylidene]methylideneazanide
Also Known As: 4-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate, 5F-034, 4'-(4-chlorophenyl)-5'-cyano-2'-oxo-1',2',3',4'-tetrahydro-1lambda5-[1,3'-bipyridin]-1-ylium-6'-olate, [4-(4-chlorophenyl)-2,6-dioxo-5-pyridin-1-ium-1-ylpiperidin-3-ylidene]methylideneazanide, [4-(4-chlorophenyl)-2,6-dioxo-5-pyridin-1-ium-1-yl-3-piperidylidene]methyleneazanide
| Molecular Formula | C17H12ClN3O2 |
|---|---|
| Molecular Weight | 325.06 g/mol |
| LogP | 1.7743 |
| Topological Polar Surface Area | 72.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.0618 |
| Heavy Atoms | 23 |
| Complexity | 811.49194 |
Chemical Identifiers
| CAS Number | 133828-97-4 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)C2C(C(=C=[N-])C(=O)NC2=O)C3=CC=C(C=C3)Cl |
Product Overview
4-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate (CAS 133828-97-4), with molecular formula C17H12ClN3O2 and molecular weight 325.06 g/mol. IUPAC: [4-(4-chlorophenyl)-2,6-dioxo-5-pyridin-1-ium-1-ylpiperidin-3-ylidene]methylideneazanide.
Chemical Property Profile of 4-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate
Property Insights of 4-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate
The XLogP value of 1.7743 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate. The TPSA of 72.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate. Following Lipinski's Rule of Five, 4-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate has 1 hydrogen bond donor(s) and 2 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-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate?
The CAS number of 4-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate is 133828-97-4.
What is the molecular formula of 4-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate?
The molecular formula of 4-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate is C17H12ClN3O2.
What is the molecular weight of 4-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate?
The molecular weight of 4-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate is 325.06 g/mol.
Where can I buy 4-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate?
You can request a quote for 4-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chlorophenyl)-3-cyano-6-oxo-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.