![2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile structure](/static/products/849/849066-22-4.png)
2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile
TL;DR: 2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile (CAS 849066-22-4) is a chemical compound with molecular formula C18H13ClN4 and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzonitrile
Also Known As: 2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile, 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzonitrile, 2-{[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]amino}benzonitrile
| Molecular Formula | C18H13ClN4 |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | 4.4564 |
| Topological Polar Surface Area | 53.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.0829 |
| Heavy Atoms | 23 |
| Complexity | 904.5162 |
Chemical Identifiers
| CAS Number | 849066-22-4 |
|---|---|
| SMILES | CC1=NN(C(=C1C=NC2=CC=CC=C2C#N)Cl)C3=CC=CC=C3 |
Product Overview
2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile (CAS 849066-22-4), with molecular formula C18H13ClN4 and molecular weight 320.08 g/mol. IUPAC: 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzonitrile.
Chemical Property Profile of 2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile
Property Insights of 2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile
The XLogP value of 4.4564 indicates that 2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.97 Ų, 2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile 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-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile?
The CAS number of 2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile is 849066-22-4.
What is the molecular formula of 2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile?
The molecular formula of 2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile is C18H13ClN4.
What is the molecular weight of 2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile?
The molecular weight of 2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile is 320.08 g/mol.
Where can I buy 2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile?
You can request a quote for 2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]amino}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.