2-(1H-Benzotriazol-1-yl)hexanoic acid
TL;DR: 2-(1H-Benzotriazol-1-yl)hexanoic acid (CAS 115054-73-4) is a chemical compound with molecular formula C12H15N3O2 and molecular weight 233.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzotriazol-1-yl)hexanoic acid
Also Known As: 2-benzotriazol-1-ylhexanoic Acid, 2-(benzotriazol-1-yl)hexanoic acid, 2-(1H-Benzotriazol-1-yl)hexanoic acid, alpha-Butyl-1H-benzotriazole-1-acetic acid, I+/--Butyl-1H-benzotriazole-1-acetic acid
Technical Specifications
| Molecular Formula | C12H15N3O2 |
| Molecular Weight | 233.11642 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.11642 Da |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
| SMILES | CCCCC(C(=O)O)N1C2=CC=CC=C2N=N1 |
| InChIKey | FLVBTLGTMRYQTI-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1H-Benzotriazol-1-yl)hexanoic acid
Property Insights of 2-(1H-Benzotriazol-1-yl)hexanoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-Benzotriazol-1-yl)hexanoic acid. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-Benzotriazol-1-yl)hexanoic acid. Following Lipinski's Rule of Five, 2-(1H-Benzotriazol-1-yl)hexanoic acid 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 2-(1H-Benzotriazol-1-yl)hexanoic acid?
The CAS number of 2-(1H-Benzotriazol-1-yl)hexanoic acid is 115054-73-4.
What is the molecular formula of 2-(1H-Benzotriazol-1-yl)hexanoic acid?
The molecular formula of 2-(1H-Benzotriazol-1-yl)hexanoic acid is C12H15N3O2.
What is the molecular weight of 2-(1H-Benzotriazol-1-yl)hexanoic acid?
The molecular weight of 2-(1H-Benzotriazol-1-yl)hexanoic acid is 233.11642 g/mol.
Where can I buy 2-(1H-Benzotriazol-1-yl)hexanoic acid?
You can request a quote for 2-(1H-Benzotriazol-1-yl)hexanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1H-Benzotriazol-1-yl)hexanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(1H-Benzotriazol-1-yl)hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.