4-tert-butyl-N-pyridin-3-ylbenzamide
TL;DR: 4-tert-butyl-N-pyridin-3-ylbenzamide (CAS 125125-12-4) is a chemical compound with molecular formula C16H18N2O and molecular weight 254.1419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-tert-butyl-N-pyridin-3-ylbenzamide
Also Known As: 4-tert-butyl-N-pyridin-3-ylbenzamide, 4-tert-butyl-N-(3-pyridinyl)benzamide, 4-tert-Butyl-N-pyridin-3-yl-benzamide, BAS 00687424, 4-tert-butyl-N-(pyridin-3-yl)benzamide
Technical Specifications
| Molecular Formula | C16H18N2O |
| Molecular Weight | 254.1419 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.1419 Da |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CN=CC=C2 |
| InChIKey | BTSLXLVSRNBQDM-UHFFFAOYSA-N |
Chemical Property Profile of 4-tert-butyl-N-pyridin-3-ylbenzamide
Property Insights of 4-tert-butyl-N-pyridin-3-ylbenzamide
The XLogP value of 3.4 indicates that 4-tert-butyl-N-pyridin-3-ylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, 4-tert-butyl-N-pyridin-3-ylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-butyl-N-pyridin-3-ylbenzamide has 1 hydrogen bond donor(s) and 2 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-tert-butyl-N-pyridin-3-ylbenzamide?
The CAS number of 4-tert-butyl-N-pyridin-3-ylbenzamide is 125125-12-4.
What is the molecular formula of 4-tert-butyl-N-pyridin-3-ylbenzamide?
The molecular formula of 4-tert-butyl-N-pyridin-3-ylbenzamide is C16H18N2O.
What is the molecular weight of 4-tert-butyl-N-pyridin-3-ylbenzamide?
The molecular weight of 4-tert-butyl-N-pyridin-3-ylbenzamide is 254.1419 g/mol.
Where can I buy 4-tert-butyl-N-pyridin-3-ylbenzamide?
You can request a quote for 4-tert-butyl-N-pyridin-3-ylbenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-tert-butyl-N-pyridin-3-ylbenzamide?
Yes, CoreyChem provides custom synthesis services for 4-tert-butyl-N-pyridin-3-ylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.