![2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile structure](/static/products/705/70598-19-5.png)
2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile
TL;DR: 2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile (CAS 70598-19-5) is a chemical compound with molecular formula C17H12BrN3 and molecular weight 337.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile
Also Known As: 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile, 2-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]acetonitrile, [3-(4-bromo-phenyl)-1-phenyl-1h-pyrazol-4-yl]-acetonitrile
| Molecular Formula | C17H12BrN3 |
|---|---|
| Molecular Weight | 337.02 g/mol |
| LogP | 4.36788 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.02145 |
| Heavy Atoms | 21 |
| Complexity | 783.1526 |
Chemical Identifiers
| CAS Number | 70598-19-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)CC#N |
Product Overview
2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile (CAS 70598-19-5), with molecular formula C17H12BrN3 and molecular weight 337.02 g/mol. IUPAC: 2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile.
Chemical Property Profile of 2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile
Property Insights of 2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile
The XLogP value of 4.36788 indicates that 2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.61 Ų, 2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile has 0 hydrogen bond donor(s) and 2 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-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile?
The CAS number of 2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile is 70598-19-5.
What is the molecular formula of 2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile?
The molecular formula of 2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile is C17H12BrN3.
What is the molecular weight of 2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile?
The molecular weight of 2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile is 337.02 g/mol.
Where can I buy 2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile?
You can request a quote for 2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.