![[6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile structure](/static/products/727/727686-23-9.png)
[6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile
TL;DR: [6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile (CAS 727686-23-9) is a chemical compound with molecular formula C17H10ClN5 and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile
Also Known As: A3802/0161346, [6-(4-chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile, 2-(6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)acetonitrile, 2-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile, [6-(4-CHLOROPHENYL)[1,2,4]TRIAZOLO[3,4-A]PHTHALAZIN-3-YL]METHYL CYANIDE
| Molecular Formula | C17H10ClN5 |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 3.66398 |
| Topological Polar Surface Area | 66.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.06247 |
| Heavy Atoms | 23 |
| Complexity | 1060.1722 |
Chemical Identifiers
| CAS Number | 727686-23-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NN3C2=NN=C3CC#N)C4=CC=C(C=C4)Cl |
Product Overview
[6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile (CAS 727686-23-9), with molecular formula C17H10ClN5 and molecular weight 319.06 g/mol. IUPAC: 2-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile.
Chemical Property Profile of [6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile
Property Insights of [6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile
The XLogP value of 3.66398 indicates that [6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.87 Ų falls within the moderate polarity range, balancing permeability and solubility for [6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile. Following Lipinski's Rule of Five, [6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]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 [6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile?
The CAS number of [6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile is 727686-23-9.
What is the molecular formula of [6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile?
The molecular formula of [6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile is C17H10ClN5.
What is the molecular weight of [6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile?
The molecular weight of [6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile is 319.06 g/mol.
Where can I buy [6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile?
You can request a quote for [6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.