CAS RN: 27314-13-2
NORFLURAZON
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251208 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS27314-13-2
- Purity/Analytical Methods: >99.0%
27314-13-2 / 4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
Basic Information
CAS
27314-13-2
Multi CAS
No
Molecular Formula
C12H9ClF3N3O
Molecular Weight
303.670000
Exact Mass
303.038624
SMILES
CNC1=C(C(=O)N(N=C1)C2=CC=CC(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3
InChIKey
NVGOPFQZYCNLDU-UHFFFAOYSA-N
Physical Properties
Melting Point
184 °C
Physical Description
Norflurazon appears as colorless odorless crystals. Non corrosive. Used as an herbicide.
White to greyish-brown odorless solid; [HSDB] Colorless odorless solid; [CAMEO] Crystalline solid
Appearance
White to greyish brown, crystalline powder
Crystals from alcohol
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.39
TPSA
46.92
LogP / Solubility
WLOGP
2.95
MLOGP
2.61
XLogP3
2.3
Consensus LogP
2.62
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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