1,2-Benzisoxazol-3-amine, N-4-pyridinyl-
TL;DR: 1,2-Benzisoxazol-3-amine, N-4-pyridinyl- (CAS 155637-51-7) is a chemical compound with molecular formula C12H9N3O and molecular weight 211.07455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-pyridin-4-yl-1,2-benzoxazol-3-amine
Also Known As: 1,2-Benzisoxazol-3-amine, N-4-pyridinyl-, 3-[(4-pyridinyl)amino]-1,2-benzisoxazole, N-(Pyridin-4-yl)benzo[d]isoxazol-3-amine, N-pyridin-4-ylbenzo[d]isoxazol-3-amine, 3-(4-pyridinylamino)-1,2-benzisoxazole
Technical Specifications
| Molecular Formula | C12H9N3O |
| Molecular Weight | 211.07455 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 51.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.07455 Da |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
| SMILES | C1=CC=C2C(=C1)C(=NO2)NC3=CC=NC=C3 |
| InChIKey | XLRRBYUEMIWKOJ-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Benzisoxazol-3-amine, N-4-pyridinyl-
Property Insights of 1,2-Benzisoxazol-3-amine, N-4-pyridinyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisoxazol-3-amine, N-4-pyridinyl-. With a topological polar surface area (TPSA) of 51.0 Ų, 1,2-Benzisoxazol-3-amine, N-4-pyridinyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisoxazol-3-amine, N-4-pyridinyl- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2-Benzisoxazol-3-amine, N-4-pyridinyl-?
The CAS number of 1,2-Benzisoxazol-3-amine, N-4-pyridinyl- is 155637-51-7.
What is the molecular formula of 1,2-Benzisoxazol-3-amine, N-4-pyridinyl-?
The molecular formula of 1,2-Benzisoxazol-3-amine, N-4-pyridinyl- is C12H9N3O.
What is the molecular weight of 1,2-Benzisoxazol-3-amine, N-4-pyridinyl-?
The molecular weight of 1,2-Benzisoxazol-3-amine, N-4-pyridinyl- is 211.07455 g/mol.
Where can I buy 1,2-Benzisoxazol-3-amine, N-4-pyridinyl-?
You can request a quote for 1,2-Benzisoxazol-3-amine, N-4-pyridinyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Benzisoxazol-3-amine, N-4-pyridinyl-?
Yes, CoreyChem provides custom synthesis services for 1,2-Benzisoxazol-3-amine, N-4-pyridinyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.