1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate
TL;DR: 1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate (CAS 360787-15-1) is a chemical compound with molecular formula C9H11N3O and molecular weight 177.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxido-3-propylbenzotriazol-1-ium
Also Known As: 1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate, 3-oxido-1-propyl-benzotriazole, 3-Propyl-3H-benzotriazole 1-oxide, 1-oxido-3-propylbenzotriazol-1-ium, J1.593.228G
| Molecular Formula | C9H11N3O |
|---|---|
| Molecular Weight | 177.09 g/mol |
| LogP | 1.0797 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.09021 |
| Heavy Atoms | 13 |
| Complexity | 421.71707 |
Chemical Identifiers
| CAS Number | 360787-15-1 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2[N+](=N1)[O-] |
Product Overview
1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate (CAS 360787-15-1), with molecular formula C9H11N3O and molecular weight 177.09 g/mol. IUPAC: 1-oxido-3-propylbenzotriazol-1-ium.
Chemical Property Profile of 1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate
Property Insights of 1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate
The XLogP value of 1.0797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate. With a topological polar surface area (TPSA) of 44.76 Ų, 1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate?
The CAS number of 1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate is 360787-15-1.
What is the molecular formula of 1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate?
The molecular formula of 1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate is C9H11N3O.
What is the molecular weight of 1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate?
The molecular weight of 1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate is 177.09 g/mol.
Where can I buy 1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate?
You can request a quote for 1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate?
Yes, KEHONG BIO provides custom synthesis services for 1-Propyl-1H-1,2,3-benzotriazol-3-ium-3-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.