1-(Pyridin-4-ylmethyl)benzotriazole
TL;DR: 1-(Pyridin-4-ylmethyl)benzotriazole (CAS 150638-32-7) is a chemical compound with molecular formula C12H10N4 and molecular weight 210.09055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(pyridin-4-ylmethyl)benzotriazole
Also Known As: 1-(pyridin-4-ylmethyl)benzotriazole, 1-(Pyridin-4-ylmethyl)-1H-1,2,3-benzotriazole, 1-(4-pyridylmethyl)benzotriazole, 1-[(pyridin-4-yl)methyl]-1H-1,2,3-benzotriazole
Technical Specifications
| Molecular Formula | C12H10N4 |
| Molecular Weight | 210.09055 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.09055 Da |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
| SMILES | C1=CC=C2C(=C1)N=NN2CC3=CC=NC=C3 |
| InChIKey | CUWMQXUVJCCLAO-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Pyridin-4-ylmethyl)benzotriazole
Property Insights of 1-(Pyridin-4-ylmethyl)benzotriazole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Pyridin-4-ylmethyl)benzotriazole. With a topological polar surface area (TPSA) of 43.6 Ų, 1-(Pyridin-4-ylmethyl)benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Pyridin-4-ylmethyl)benzotriazole 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
What is the CAS number of 1-(Pyridin-4-ylmethyl)benzotriazole?
The CAS number of 1-(Pyridin-4-ylmethyl)benzotriazole is 150638-32-7.
What is the molecular formula of 1-(Pyridin-4-ylmethyl)benzotriazole?
The molecular formula of 1-(Pyridin-4-ylmethyl)benzotriazole is C12H10N4.
What is the molecular weight of 1-(Pyridin-4-ylmethyl)benzotriazole?
The molecular weight of 1-(Pyridin-4-ylmethyl)benzotriazole is 210.09055 g/mol.
Where can I buy 1-(Pyridin-4-ylmethyl)benzotriazole?
You can request a quote for 1-(Pyridin-4-ylmethyl)benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Pyridin-4-ylmethyl)benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-(Pyridin-4-ylmethyl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.