2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile
TL;DR: 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile (CAS 51234-36-7) is a chemical compound with molecular formula C16H11ClN2O and molecular weight 282.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanenitrile
Also Known As: 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile, 2-(4-Chlorophenyl)benzoxazole-5-propiononitrile, 4-Hydroxy-3-nitrophenyl-a-methylacetonitrile, 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanenitrile, 5-Benzoxazoleacetonitrile, 2-(4-chlorophenyl)-alpha-methyl-
| Molecular Formula | C16H11ClN2O |
|---|---|
| Molecular Weight | 282.06 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.056 |
| Heavy Atoms | 20 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 51234-36-7 |
|---|---|
| SMILES | CC(C#N)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl |
| InChIKey | RBGOLZYAUJDSGL-UHFFFAOYSA-N |
Product Overview
2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile (CAS 51234-36-7), with molecular formula C16H11ClN2O and molecular weight 282.06 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanenitrile.
Chemical Property Profile of 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile
Property Insights of 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile
The XLogP value of 4.3 indicates that 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile 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-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile?
The CAS number of 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile is 51234-36-7.
What is the molecular formula of 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile?
The molecular formula of 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile is C16H11ClN2O.
What is the molecular weight of 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile?
The molecular weight of 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile is 282.06 g/mol.
Where can I buy 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile?
You can request a quote for 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.