2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile
TL;DR: 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile (CAS 338752-84-4) is a chemical compound with molecular formula C13H10ClN3O and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile
Also Known As: 2-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile, 2-(6-Chloro-3-pyridazinyl)-2-(4-methoxyphenyl)-acetonitrile, chloropyridazinylmethoxyphenylacetonitrile, 2-(6-chloro-3-pyridazinyl)-2-(4-methoxyphenyl)acetonitrile, J2.693.940B
| Molecular Formula | C13H10ClN3O |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 2.79408 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.05124 |
| Heavy Atoms | 18 |
| Complexity | 560.2854 |
Chemical Identifiers
| CAS Number | 338752-84-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C#N)C2=NN=C(C=C2)Cl |
Product Overview
2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile (CAS 338752-84-4), with molecular formula C13H10ClN3O and molecular weight 259.05 g/mol. IUPAC: 2-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile.
Chemical Property Profile of 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile
Property Insights of 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile
The XLogP value of 2.79408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile. With a topological polar surface area (TPSA) of 58.8 Ų, 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile has 0 hydrogen bond donor(s) and 4 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-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile?
The CAS number of 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile is 338752-84-4.
What is the molecular formula of 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile?
The molecular formula of 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile is C13H10ClN3O.
What is the molecular weight of 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile?
The molecular weight of 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile is 259.05 g/mol.
Where can I buy 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile?
You can request a quote for 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Chloropyridazin-3-yl)-2-(4-methoxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.