(6-Chloropyridazin-3-yl)(phenyl)acetonitrile
TL;DR: (6-Chloropyridazin-3-yl)(phenyl)acetonitrile (CAS 73535-73-6) is a chemical compound with molecular formula C12H8ClN3 and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloropyridazin-3-yl)-2-phenylacetonitrile
Also Known As: 2-(6-chloropyridazin-3-yl)-2-phenylacetonitrile, 2-(6-Chloro-3-Pyridazinyl)-2-Phenylacetonitrile, 6-Chloro-Alpha-Phenyl-3-Pyridazineacetonitrile, chloropyridazinylphenylacetonitrile, 8983AE
| Molecular Formula | C12H8ClN3 |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 2.78548 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.04068 |
| Heavy Atoms | 16 |
| Complexity | 502.0371 |
Chemical Identifiers
| CAS Number | 73535-73-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)C2=NN=C(C=C2)Cl |
Product Overview
(6-Chloropyridazin-3-yl)(phenyl)acetonitrile (CAS 73535-73-6), with molecular formula C12H8ClN3 and molecular weight 229.04 g/mol. IUPAC: 2-(6-chloropyridazin-3-yl)-2-phenylacetonitrile.
Chemical Property Profile of (6-Chloropyridazin-3-yl)(phenyl)acetonitrile
Property Insights of (6-Chloropyridazin-3-yl)(phenyl)acetonitrile
The XLogP value of 2.78548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Chloropyridazin-3-yl)(phenyl)acetonitrile. With a topological polar surface area (TPSA) of 49.57 Ų, (6-Chloropyridazin-3-yl)(phenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Chloropyridazin-3-yl)(phenyl)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 (6-Chloropyridazin-3-yl)(phenyl)acetonitrile?
The CAS number of (6-Chloropyridazin-3-yl)(phenyl)acetonitrile is 73535-73-6.
What is the molecular formula of (6-Chloropyridazin-3-yl)(phenyl)acetonitrile?
The molecular formula of (6-Chloropyridazin-3-yl)(phenyl)acetonitrile is C12H8ClN3.
What is the molecular weight of (6-Chloropyridazin-3-yl)(phenyl)acetonitrile?
The molecular weight of (6-Chloropyridazin-3-yl)(phenyl)acetonitrile is 229.04 g/mol.
Where can I buy (6-Chloropyridazin-3-yl)(phenyl)acetonitrile?
You can request a quote for (6-Chloropyridazin-3-yl)(phenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Chloropyridazin-3-yl)(phenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (6-Chloropyridazin-3-yl)(phenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.