1-Nonyl-1H-1,2,3-benzotriazol-3-ium-3-olate
TL;DR: 1-Nonyl-1H-1,2,3-benzotriazol-3-ium-3-olate (CAS 360787-17-3) is a chemical compound with molecular formula C15H23N3O and molecular weight 261.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nonyl-3-oxidobenzotriazol-3-ium
Also Known As: starbld0027729, 1-Nonyl-1H-1,2,3-benzotriazol-3-ium-3-olate, 1-nonyl-3-oxido-benzotriazole, 1-nonyl-3-oxidobenzotriazol-3-ium, 3-Nonyl-3H-benzotriazole 1-oxide
| Molecular Formula | C15H23N3O |
|---|---|
| Molecular Weight | 261.18 g/mol |
| LogP | 3.4203 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 261.1841 |
| Heavy Atoms | 19 |
| Complexity | 507.06003 |
Chemical Identifiers
| CAS Number | 360787-17-3 |
|---|---|
| SMILES | CCCCCCCCCN1C2=CC=CC=C2[N+](=N1)[O-] |
Product Overview
1-Nonyl-1H-1,2,3-benzotriazol-3-ium-3-olate (CAS 360787-17-3), with molecular formula C15H23N3O and molecular weight 261.18 g/mol. IUPAC: 1-nonyl-3-oxidobenzotriazol-3-ium.
Chemical Property Profile of 1-Nonyl-1H-1,2,3-benzotriazol-3-ium-3-olate
Property Insights of 1-Nonyl-1H-1,2,3-benzotriazol-3-ium-3-olate
The XLogP value of 3.4203 indicates that 1-Nonyl-1H-1,2,3-benzotriazol-3-ium-3-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 1-Nonyl-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-Nonyl-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-Nonyl-1H-1,2,3-benzotriazol-3-ium-3-olate?
The CAS number of 1-Nonyl-1H-1,2,3-benzotriazol-3-ium-3-olate is 360787-17-3.
What is the molecular formula of 1-Nonyl-1H-1,2,3-benzotriazol-3-ium-3-olate?
The molecular formula of 1-Nonyl-1H-1,2,3-benzotriazol-3-ium-3-olate is C15H23N3O.
What is the molecular weight of 1-Nonyl-1H-1,2,3-benzotriazol-3-ium-3-olate?
The molecular weight of 1-Nonyl-1H-1,2,3-benzotriazol-3-ium-3-olate is 261.18 g/mol.
Where can I buy 1-Nonyl-1H-1,2,3-benzotriazol-3-ium-3-olate?
You can request a quote for 1-Nonyl-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-Nonyl-1H-1,2,3-benzotriazol-3-ium-3-olate?
Yes, KEHONG BIO provides custom synthesis services for 1-Nonyl-1H-1,2,3-benzotriazol-3-ium-3-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.