N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine
TL;DR: N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine (CAS 16601-40-4) is a chemical compound with molecular formula C16H16N4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine
Also Known As: N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine, n-[(4e)-3-(propan-2-yl)-1,2,3-benzotriazin-4(3h)-ylidene]aniline, (4E)-N-Phenyl-3-(propan-2-yl)-1,2,3-benzotriazin-4(3H)-imine
| Molecular Formula | C16H16N4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 40.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.13748 |
| Heavy Atoms | 20 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 16601-40-4 |
|---|---|
| SMILES | CC(C)N1C(=NC2=CC=CC=C2)C3=CC=CC=C3N=N1 |
| InChIKey | YFYCBMAKNUHGHN-UHFFFAOYSA-N |
Product Overview
N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine (CAS 16601-40-4), with molecular formula C16H16N4 and molecular weight 264.14 g/mol. IUPAC: N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine.
Chemical Property Profile of N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine
Property Insights of N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine
The XLogP value of 4.2 indicates that N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.3 Ų, N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine has 0 hydrogen bond donor(s) and 3 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 N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine?
The CAS number of N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine is 16601-40-4.
What is the molecular formula of N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine?
The molecular formula of N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine is C16H16N4.
What is the molecular weight of N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine?
The molecular weight of N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine is 264.14 g/mol.
Where can I buy N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine?
You can request a quote for N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine?
Yes, KEHONG BIO provides custom synthesis services for N-phenyl-3-propan-2-yl-1,2,3-benzotriazin-4-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.