![3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one structure](/static/products/866/866009-37-2.png)
3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one
TL;DR: 3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one (CAS 866009-37-2) is a chemical compound with molecular formula C16H14FN3O2 and molecular weight 299.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one
Also Known As: 3-[3-(4-fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one, 3-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-1,2,3-benzotriazin-4-one, 3-[3-(4-fluorophenoxy)propyl]-1,2,3-benzotriazin-4(3H)-one
| Molecular Formula | C16H14FN3O2 |
|---|---|
| Molecular Weight | 299.11 g/mol |
| LogP | 2.3997 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.107 |
| Heavy Atoms | 22 |
| Complexity | 830.6637 |
Chemical Identifiers
| CAS Number | 866009-37-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)CCCOC3=CC=C(C=C3)F |
Product Overview
3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one (CAS 866009-37-2), with molecular formula C16H14FN3O2 and molecular weight 299.11 g/mol. IUPAC: 3-[3-(4-fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one
Property Insights of 3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one
The XLogP value of 2.3997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one. With a topological polar surface area (TPSA) of 57.01 Ų, 3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one has 0 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 3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one?
The CAS number of 3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one is 866009-37-2.
What is the molecular formula of 3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one?
The molecular formula of 3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one is C16H14FN3O2.
What is the molecular weight of 3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one?
The molecular weight of 3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one is 299.11 g/mol.
Where can I buy 3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one?
You can request a quote for 3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(4-Fluorophenoxy)propyl]-1,2,3-benzotriazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.