4-苯基-2-吡啶甲腈
TL;DR: 4-苯基-2-吡啶甲腈 (CAS 18714-16-4) is a chemical compound with molecular formula C12H8N2 and molecular weight 180.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-苯基-2-吡啶甲腈
4-phenylpyridine-2-carbonitrile
Also Known As: 2-Cyano-4-phenylpyridine, 4-phenylpyridine-2-carbonitrile, 4-Phenylpicolinonitrile, 4-Phenyl-2-pyridinecarbonitrile, 2-Pyridinecarbonitrile, 4-phenyl-
| Molecular Formula | C12H8N2 |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.06874 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 18714-16-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NC=C2)C#N |
| InChIKey | TXLINXBIWJYFNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-苯基-2-吡啶甲腈 (CAS 18714-16-4), with molecular formula C12H8N2 and molecular weight 180.07 g/mol. IUPAC: 4-phenylpyridine-2-carbonitrile.
Chemical Property Profile of 4-苯基-2-吡啶甲腈
Property Insights of 4-苯基-2-吡啶甲腈
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-苯基-2-吡啶甲腈. With a topological polar surface area (TPSA) of 36.7 Ų, 4-苯基-2-吡啶甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-苯基-2-吡啶甲腈 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 4-苯基-2-吡啶甲腈?
The CAS number of 4-苯基-2-吡啶甲腈 is 18714-16-4.
What is the molecular formula of 4-苯基-2-吡啶甲腈?
The molecular formula of 4-苯基-2-吡啶甲腈 is C12H8N2.
What is the molecular weight of 4-苯基-2-吡啶甲腈?
The molecular weight of 4-苯基-2-吡啶甲腈 is 180.07 g/mol.
Where can I buy 4-苯基-2-吡啶甲腈?
You can request a quote for 4-苯基-2-吡啶甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-苯基-2-吡啶甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-苯基-2-吡啶甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.