2-(1H-1,2,3-benzotriazol-1-yl)butanamide
TL;DR: 2-(1H-1,2,3-benzotriazol-1-yl)butanamide (CAS 115054-75-6) is a chemical compound with molecular formula C10H12N4O and molecular weight 204.1011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzotriazol-1-yl)butanamide
Also Known As: 2-benzotriazol-1-ylbutanamide, 2-(benzotriazol-1-yl)butanamide, 2-(1H-Benzotriazol-1-yl)butanamide, alpha-Ethyl-1H-benzotriazole-1-acetamide, 2-(1H-1,2,3-benzotriazol-1-yl)butanamide
Technical Specifications
| Molecular Formula | C10H12N4O |
| Molecular Weight | 204.1011 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.1011 Da |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
| SMILES | CCC(C(=O)N)N1C2=CC=CC=C2N=N1 |
| InChIKey | NQCTZHKUYXAXTP-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1H-1,2,3-benzotriazol-1-yl)butanamide
Property Insights of 2-(1H-1,2,3-benzotriazol-1-yl)butanamide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,2,3-benzotriazol-1-yl)butanamide. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-1,2,3-benzotriazol-1-yl)butanamide. Following Lipinski's Rule of Five, 2-(1H-1,2,3-benzotriazol-1-yl)butanamide has 1 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 2-(1H-1,2,3-benzotriazol-1-yl)butanamide?
The CAS number of 2-(1H-1,2,3-benzotriazol-1-yl)butanamide is 115054-75-6.
What is the molecular formula of 2-(1H-1,2,3-benzotriazol-1-yl)butanamide?
The molecular formula of 2-(1H-1,2,3-benzotriazol-1-yl)butanamide is C10H12N4O.
What is the molecular weight of 2-(1H-1,2,3-benzotriazol-1-yl)butanamide?
The molecular weight of 2-(1H-1,2,3-benzotriazol-1-yl)butanamide is 204.1011 g/mol.
Where can I buy 2-(1H-1,2,3-benzotriazol-1-yl)butanamide?
You can request a quote for 2-(1H-1,2,3-benzotriazol-1-yl)butanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1H-1,2,3-benzotriazol-1-yl)butanamide?
Yes, CoreyChem provides custom synthesis services for 2-(1H-1,2,3-benzotriazol-1-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.