1,3-Bis(benzotriazol-1-yl)propan-2-one
TL;DR: 1,3-Bis(benzotriazol-1-yl)propan-2-one (CAS 156395-18-5) is a chemical compound with molecular formula C15H12N6O and molecular weight 292.10727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(benzotriazol-1-yl)propan-2-one
Also Known As: starbld0012593, 1,3-bis(benzotriazol-1-yl)propan-2-one, 1,3-Bis(1H-1,2,3-benzotriazol-1-yl)propan-2-one, 1,3-di(1H-1,2,3-benzotriazol-1-yl)acetone, 1,3-Bis(1H-benzotriazol-1-yl)acetone
Technical Specifications
| Molecular Formula | C15H12N6O |
| Molecular Weight | 292.10727 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.10727 Da |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
| SMILES | C1=CC=C2C(=C1)N=NN2CC(=O)CN3C4=CC=CC=C4N=N3 |
| InChIKey | SZHVGNLCBTXWRQ-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Bis(benzotriazol-1-yl)propan-2-one
Property Insights of 1,3-Bis(benzotriazol-1-yl)propan-2-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(benzotriazol-1-yl)propan-2-one. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(benzotriazol-1-yl)propan-2-one. Following Lipinski's Rule of Five, 1,3-Bis(benzotriazol-1-yl)propan-2-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Bis(benzotriazol-1-yl)propan-2-one?
The CAS number of 1,3-Bis(benzotriazol-1-yl)propan-2-one is 156395-18-5.
What is the molecular formula of 1,3-Bis(benzotriazol-1-yl)propan-2-one?
The molecular formula of 1,3-Bis(benzotriazol-1-yl)propan-2-one is C15H12N6O.
What is the molecular weight of 1,3-Bis(benzotriazol-1-yl)propan-2-one?
The molecular weight of 1,3-Bis(benzotriazol-1-yl)propan-2-one is 292.10727 g/mol.
Where can I buy 1,3-Bis(benzotriazol-1-yl)propan-2-one?
You can request a quote for 1,3-Bis(benzotriazol-1-yl)propan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Bis(benzotriazol-1-yl)propan-2-one?
Yes, CoreyChem provides custom synthesis services for 1,3-Bis(benzotriazol-1-yl)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.