4-(2,3-Dihydro-1H-perimidin-2-yl)benzonitrile
TL;DR: 4-(2,3-Dihydro-1H-perimidin-2-yl)benzonitrile (CAS 138278-90-7) is a chemical compound with molecular formula C18H13N3 and molecular weight 271.11096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,3-dihydro-1H-perimidin-2-yl)benzonitrile
Also Known As: 4-(2,3-dihydro-1H-perimidin-2-yl)benzonitrile, ASN 03264060, 4-(2,3-Dihydro-1H-perimidin-2-yl)-benzonitrile, AJ-077/37355004
Technical Specifications
| Molecular Formula | C18H13N3 |
| Molecular Weight | 271.11096 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 47.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.11096 Da |
| Heavy Atoms | 21 |
| Complexity | 397.0 |
| SMILES | C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC=C(C=C4)C#N |
| InChIKey | DITZKLXCRJFWGZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2,3-Dihydro-1H-perimidin-2-yl)benzonitrile
Property Insights of 4-(2,3-Dihydro-1H-perimidin-2-yl)benzonitrile
The XLogP value of 4.3 indicates that 4-(2,3-Dihydro-1H-perimidin-2-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 4-(2,3-Dihydro-1H-perimidin-2-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,3-Dihydro-1H-perimidin-2-yl)benzonitrile has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(2,3-Dihydro-1H-perimidin-2-yl)benzonitrile?
The CAS number of 4-(2,3-Dihydro-1H-perimidin-2-yl)benzonitrile is 138278-90-7.
What is the molecular formula of 4-(2,3-Dihydro-1H-perimidin-2-yl)benzonitrile?
The molecular formula of 4-(2,3-Dihydro-1H-perimidin-2-yl)benzonitrile is C18H13N3.
What is the molecular weight of 4-(2,3-Dihydro-1H-perimidin-2-yl)benzonitrile?
The molecular weight of 4-(2,3-Dihydro-1H-perimidin-2-yl)benzonitrile is 271.11096 g/mol.
Where can I buy 4-(2,3-Dihydro-1H-perimidin-2-yl)benzonitrile?
You can request a quote for 4-(2,3-Dihydro-1H-perimidin-2-yl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2,3-Dihydro-1H-perimidin-2-yl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(2,3-Dihydro-1H-perimidin-2-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.