3-(2-Methylpyrimidin-4-yl)benzonitrile
TL;DR: 3-(2-Methylpyrimidin-4-yl)benzonitrile (CAS 879072-98-7) is a chemical compound with molecular formula C12H9N3 and molecular weight 195.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpyrimidin-4-yl)benzonitrile
Also Known As: 3-(2-methylpyrimidin-4-yl)benzonitrile, ASN 15417182, 3-Methyl-3,9-diazaspiro[5,5]undecane, 3-(2-Methyl-pyrimidin-4-yl)-benzonitrile
| Molecular Formula | C12H9N3 |
|---|---|
| Molecular Weight | 195.08 g/mol |
| LogP | 2.3237 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.07965 |
| Heavy Atoms | 15 |
| Complexity | 526.3856 |
Chemical Identifiers
| CAS Number | 879072-98-7 |
|---|---|
| SMILES | CC1=NC=CC(=N1)C2=CC=CC(=C2)C#N |
Product Overview
3-(2-Methylpyrimidin-4-yl)benzonitrile (CAS 879072-98-7), with molecular formula C12H9N3 and molecular weight 195.08 g/mol. IUPAC: 3-(2-methylpyrimidin-4-yl)benzonitrile.
Chemical Property Profile of 3-(2-Methylpyrimidin-4-yl)benzonitrile
Property Insights of 3-(2-Methylpyrimidin-4-yl)benzonitrile
The XLogP value of 2.3237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methylpyrimidin-4-yl)benzonitrile. With a topological polar surface area (TPSA) of 49.57 Ų, 3-(2-Methylpyrimidin-4-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methylpyrimidin-4-yl)benzonitrile 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 3-(2-Methylpyrimidin-4-yl)benzonitrile?
The CAS number of 3-(2-Methylpyrimidin-4-yl)benzonitrile is 879072-98-7.
What is the molecular formula of 3-(2-Methylpyrimidin-4-yl)benzonitrile?
The molecular formula of 3-(2-Methylpyrimidin-4-yl)benzonitrile is C12H9N3.
What is the molecular weight of 3-(2-Methylpyrimidin-4-yl)benzonitrile?
The molecular weight of 3-(2-Methylpyrimidin-4-yl)benzonitrile is 195.08 g/mol.
Where can I buy 3-(2-Methylpyrimidin-4-yl)benzonitrile?
You can request a quote for 3-(2-Methylpyrimidin-4-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methylpyrimidin-4-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methylpyrimidin-4-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.