5-(Phenylethynyl)pyrimidine
TL;DR: 5-(Phenylethynyl)pyrimidine (CAS 71418-88-7) 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.
5-(2-phenylethynyl)pyrimidine
Also Known As: 5-(phenylethynyl)pyrimidine, 5-(2-phenylethynyl)pyrimidine, 5-phenylethynylpyrimidine, Pyrimidine, 5-(2-phenylethynyl)-, J2.149.862I
| Molecular Formula | C12H8N2 |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 1.8764 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.06874 |
| Heavy Atoms | 14 |
| Complexity | 408.43045 |
Chemical Identifiers
| CAS Number | 71418-88-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CN=CN=C2 |
Product Overview
5-(Phenylethynyl)pyrimidine (CAS 71418-88-7), with molecular formula C12H8N2 and molecular weight 180.07 g/mol. IUPAC: 5-(2-phenylethynyl)pyrimidine.
Chemical Property Profile of 5-(Phenylethynyl)pyrimidine
Property Insights of 5-(Phenylethynyl)pyrimidine
The XLogP value of 1.8764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Phenylethynyl)pyrimidine. With a topological polar surface area (TPSA) of 25.78 Ų, 5-(Phenylethynyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Phenylethynyl)pyrimidine 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 5-(Phenylethynyl)pyrimidine?
The CAS number of 5-(Phenylethynyl)pyrimidine is 71418-88-7.
What is the molecular formula of 5-(Phenylethynyl)pyrimidine?
The molecular formula of 5-(Phenylethynyl)pyrimidine is C12H8N2.
What is the molecular weight of 5-(Phenylethynyl)pyrimidine?
The molecular weight of 5-(Phenylethynyl)pyrimidine is 180.07 g/mol.
Where can I buy 5-(Phenylethynyl)pyrimidine?
You can request a quote for 5-(Phenylethynyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Phenylethynyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-(Phenylethynyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.