N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
TL;DR: N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide (CAS 880811-97-2) is a chemical compound with molecular formula C17H14BrFN4O2 and molecular weight 404.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
Also Known As: VU0612091-1, F3351-0398, N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide, N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide, N-(4-bromo-2-fluorophenyl)-4-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamide
| Molecular Formula | C17H14BrFN4O2 |
|---|---|
| Molecular Weight | 404.03 g/mol |
| LogP | 3.112 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.0284 |
| Heavy Atoms | 25 |
| Complexity | 989.78894 |
Chemical Identifiers
| CAS Number | 880811-97-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)CCCC(=O)NC3=C(C=C(C=C3)Br)F |
Product Overview
N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide (CAS 880811-97-2), with molecular formula C17H14BrFN4O2 and molecular weight 404.03 g/mol. IUPAC: N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide.
Chemical Property Profile of N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
Property Insights of N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
The XLogP value of 3.112 indicates that N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide. Following Lipinski's Rule of Five, N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide 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-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
The CAS number of N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide is 880811-97-2.
What is the molecular formula of N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
The molecular formula of N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide is C17H14BrFN4O2.
What is the molecular weight of N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
The molecular weight of N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide is 404.03 g/mol.
Where can I buy N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
You can request a quote for N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromo-2-fluorophenyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.