α-苯基-2-吡啶乙腈
TL;DR: α-苯基-2-吡啶乙腈 (CAS 5005-36-7) is a chemical compound with molecular formula C13H10N2 and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-苯基-2-吡啶乙腈
2-phenyl-2-pyridin-2-ylacetonitrile
Also Known As: 2-phenyl-2-(pyridin-2-yl)acetonitrile, phenyl(pyridin-2-yl)acetonitrile, Soybean Proteins, alpha-Phenyl-2-pyridineacetonitrile, Soy protein isolate
| Molecular Formula | C13H10N2 |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0844 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 5005-36-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)C2=CC=CC=N2 |
| InChIKey | CAXNYFPECZCGFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-苯基-2-吡啶乙腈 (CAS 5005-36-7), with molecular formula C13H10N2 and molecular weight 194.08 g/mol. IUPAC: 2-phenyl-2-pyridin-2-ylacetonitrile.
Chemical Property Profile of α-苯基-2-吡啶乙腈
Property Insights of α-苯基-2-吡啶乙腈
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-苯基-2-吡啶乙腈. With a topological polar surface area (TPSA) of 36.7 Ų, α-苯基-2-吡啶乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-苯基-2-吡啶乙腈 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 α-苯基-2-吡啶乙腈?
The CAS number of α-苯基-2-吡啶乙腈 is 5005-36-7.
What is the molecular formula of α-苯基-2-吡啶乙腈?
The molecular formula of α-苯基-2-吡啶乙腈 is C13H10N2.
What is the molecular weight of α-苯基-2-吡啶乙腈?
The molecular weight of α-苯基-2-吡啶乙腈 is 194.08 g/mol.
Where can I buy α-苯基-2-吡啶乙腈?
You can request a quote for α-苯基-2-吡啶乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-苯基-2-吡啶乙腈?
Yes, KEHONG BIO provides custom synthesis services for α-苯基-2-吡啶乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.