3-(Benzotriazol-1-yl)propanal
TL;DR: 3-(Benzotriazol-1-yl)propanal (CAS 159789-44-3) is a chemical compound with molecular formula C9H9N3O and molecular weight 175.07455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(benzotriazol-1-yl)propanal
Also Known As: 3-benzotriazol-1-ylpropanal, 3-(1-benztriazolyl)propanaldehyde, 3-(benzotriazol-1-yl)propanal
Technical Specifications
| Molecular Formula | C9H9N3O |
| Molecular Weight | 175.07455 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.07455 Da |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
| SMILES | C1=CC=C2C(=C1)N=NN2CCC=O |
| InChIKey | ONVZELNPANISPR-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Benzotriazol-1-yl)propanal
Property Insights of 3-(Benzotriazol-1-yl)propanal
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzotriazol-1-yl)propanal. With a topological polar surface area (TPSA) of 47.8 Ų, 3-(Benzotriazol-1-yl)propanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzotriazol-1-yl)propanal 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 3-(Benzotriazol-1-yl)propanal?
The CAS number of 3-(Benzotriazol-1-yl)propanal is 159789-44-3.
What is the molecular formula of 3-(Benzotriazol-1-yl)propanal?
The molecular formula of 3-(Benzotriazol-1-yl)propanal is C9H9N3O.
What is the molecular weight of 3-(Benzotriazol-1-yl)propanal?
The molecular weight of 3-(Benzotriazol-1-yl)propanal is 175.07455 g/mol.
Where can I buy 3-(Benzotriazol-1-yl)propanal?
You can request a quote for 3-(Benzotriazol-1-yl)propanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Benzotriazol-1-yl)propanal?
Yes, CoreyChem provides custom synthesis services for 3-(Benzotriazol-1-yl)propanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.