(E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile
TL;DR: (E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile (CAS 313063-00-2) is a chemical compound with molecular formula C20H14ClN5 and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile
Also Known As: (E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile, (2E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile, (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)acrylonitrile
| Molecular Formula | C20H14ClN5 |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | 4.7746 |
| Topological Polar Surface Area | 70.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.09378 |
| Heavy Atoms | 26 |
| Complexity | 1129.1052 |
Chemical Identifiers
| CAS Number | 313063-00-2 |
|---|---|
| SMILES | CC1=NN(C(=C1/C=C(\C#N)/C2=NC3=CC=CC=C3N2)Cl)C4=CC=CC=C4 |
Product Overview
(E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile (CAS 313063-00-2), with molecular formula C20H14ClN5 and molecular weight 359.09 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile.
Chemical Property Profile of (E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile
Property Insights of (E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile
The XLogP value of 4.7746 indicates that (E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.29 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile. Following Lipinski's Rule of Five, (E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile has 1 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 (E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile?
The CAS number of (E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile is 313063-00-2.
What is the molecular formula of (E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile?
The molecular formula of (E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile is C20H14ClN5.
What is the molecular weight of (E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile?
The molecular weight of (E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile is 359.09 g/mol.
Where can I buy (E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile?
You can request a quote for (E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(1H-benzimidazol-2-yl)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.