2-(2-Bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile
TL;DR: 2-(2-Bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile (CAS 117538-87-1) is a chemical compound with molecular formula C12H7BrClN3 and molecular weight 306.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile
Also Known As: 2-(2-bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile, bromophenylchloropyridazinylacetonitrile, 2-(2-Bromophenyl)-2-(6-chloro-3-pyridazinyl)-acetonitrile, 0686AE, 2-(2-bromophenyl)-2-(6-chloro-3-pyridazinyl)acetonitrile
| Molecular Formula | C12H7BrClN3 |
|---|---|
| Molecular Weight | 306.95 g/mol |
| LogP | 3.54798 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.9512 |
| Heavy Atoms | 17 |
| Complexity | 562.70856 |
Chemical Identifiers
| CAS Number | 117538-87-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(C#N)C2=NN=C(C=C2)Cl)Br |
Product Overview
2-(2-Bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile (CAS 117538-87-1), with molecular formula C12H7BrClN3 and molecular weight 306.95 g/mol. IUPAC: 2-(2-bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile.
Chemical Property Profile of 2-(2-Bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile
Property Insights of 2-(2-Bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile
The XLogP value of 3.54798 indicates that 2-(2-Bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 2-(2-Bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile 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-(2-Bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile?
The CAS number of 2-(2-Bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile is 117538-87-1.
What is the molecular formula of 2-(2-Bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile?
The molecular formula of 2-(2-Bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile is C12H7BrClN3.
What is the molecular weight of 2-(2-Bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile?
The molecular weight of 2-(2-Bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile is 306.95 g/mol.
Where can I buy 2-(2-Bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile?
You can request a quote for 2-(2-Bromophenyl)-2-(6-chloropyridazin-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 2-(2-Bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Bromophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.