CAS RN: 1610008-47-3
1610008-47-3
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251230 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1610008-47-3
- Purity/Analytical Methods: >99.0%
1610008-47-3 / 6-chloro-4-(trifluoromethyl)pyridazin-3-amine
Basic Information
CAS
1610008-47-3
Multi CAS
No
Molecular Formula
C5H3ClF3N3
Molecular Weight
197.540000
Exact Mass
196.996759
SMILES
C1=C(C(=NN=C1Cl)N)C(F)(F)F
InChI
InChI=1S/C5H3ClF3N3/c6-3-1-2(5(7,8)9)4(10)12-11-3/h1H,(H2,10,12)
InChIKey
RBVWDFYUUPIMTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.46
TPSA
51.8
LogP / Solubility
WLOGP
1.73
MLOGP
1.52
XLogP3
1.3
Consensus LogP
1.52
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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