![2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile structure](/static/products/868/86894-73-7.png)
2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile
TL;DR: 2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile (CAS 86894-73-7) is a chemical compound with molecular formula C12H8ClN3O and molecular weight 245.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile
Also Known As: 2-(3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl)acetonitrile, 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile, F2774-0353, [3-(4-Chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetonitrile, 1(6H)-Pyridazineacetonitrile, 3-(4-chlorophenyl)-6-oxo-
| Molecular Formula | C12H8ClN3O |
|---|---|
| Molecular Weight | 245.04 g/mol |
| LogP | 2.08728 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.03558 |
| Heavy Atoms | 17 |
| Complexity | 625.4344 |
Chemical Identifiers
| CAS Number | 86894-73-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN(C(=O)C=C2)CC#N)Cl |
Product Overview
2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile (CAS 86894-73-7), with molecular formula C12H8ClN3O and molecular weight 245.04 g/mol. IUPAC: 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile.
Chemical Property Profile of 2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile
Property Insights of 2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile
The XLogP value of 2.08728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile. With a topological polar surface area (TPSA) of 58.68 Ų, 2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile 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 2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile?
The CAS number of 2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile is 86894-73-7.
What is the molecular formula of 2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile?
The molecular formula of 2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile is C12H8ClN3O.
What is the molecular weight of 2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile?
The molecular weight of 2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile is 245.04 g/mol.
Where can I buy 2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile?
You can request a quote for 2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-Chlorophenyl)-6-oxopyridazin-1-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.