2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium
TL;DR: 2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium (CAS 49840-16-6) is a chemical compound with molecular formula C17H19IN4 and molecular weight 406.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-1-propyl-1,2,3-benzotriazin-1-ium-4-amine iodide
Also Known As: TnPBI, Propionoine, 2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium, 2-n-Propyl-4-p-tolylamino-1,2,3-benzotriazinium iodide, 2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium iodide
| Molecular Formula | C17H19IN4 |
|---|---|
| Molecular Weight | 406.07 g/mol |
| LogP | 0.38332 |
| Topological Polar Surface Area | 41.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.06543 |
| Heavy Atoms | 22 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 49840-16-6 |
|---|---|
| SMILES | CCC[N+]1=NN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)C.[I-] |
| InChIKey | OYEIQSIQQKGVOW-UHFFFAOYSA-N |
Product Overview
2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium (CAS 49840-16-6), with molecular formula C17H19IN4 and molecular weight 406.07 g/mol. IUPAC: N-(4-methylphenyl)-1-propyl-1,2,3-benzotriazin-1-ium-4-amine iodide.
Chemical Property Profile of 2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium
Property Insights of 2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium
The XLogP value of 0.38332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium. With a topological polar surface area (TPSA) of 41.7 Ų, 2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium 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
Frequently Asked Questions
What is the CAS number of 2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium?
The CAS number of 2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium is 49840-16-6.
What is the molecular formula of 2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium?
The molecular formula of 2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium is C17H19IN4.
What is the molecular weight of 2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium?
The molecular weight of 2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium is 406.07 g/mol.
Where can I buy 2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium?
You can request a quote for 2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium?
Yes, KEHONG BIO provides custom synthesis services for 2-n-Propyl-4-4-tolylamino-1,2,3-benzotriazinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.