N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine
TL;DR: N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine (CAS 25465-48-9) 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-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine
Also Known As: NCIStruc1_000785, NCIStruc2_001910, 2,3-Dimethyl-1,4-dioxen, N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine, NCI60_001422
| Molecular Formula | C16H16N4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.13748 |
| Heavy Atoms | 20 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 25465-48-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCNC2=NN=NC3=CC=CC=C32 |
| InChIKey | HQWLLFQQPGKRBI-UHFFFAOYSA-N |
Product Overview
N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine (CAS 25465-48-9), with molecular formula C16H16N4 and molecular weight 264.14 g/mol. IUPAC: N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine.
Chemical Property Profile of N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine
Property Insights of N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine
The XLogP value of 3.3 indicates that N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine 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 N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine?
The CAS number of N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine is 25465-48-9.
What is the molecular formula of N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine?
The molecular formula of N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine is C16H16N4.
What is the molecular weight of N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine?
The molecular weight of N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine is 264.14 g/mol.
Where can I buy N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine?
You can request a quote for N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-phenylpropyl)-1,2,3-benzotriazin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.