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CAS 252577-14-3 4-Chloro-6-(2-Fluoropropan-2-Yl)-1,3,5-Triazin-2-Amine molecular structure lightbox
CAS RN: 252577-14-3

4-Chloro-6-(2-Fluoropropan-2-Yl)-1,3,5-Triazin-2-Amine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260512 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS252577-14-3
  • Purity/Analytical Methods: >99.0%
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252577-14-3 / 4-chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine

Standard CAS: 252577-14-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252577-14-3
Multi CAS
No
Molecular Formula
C6H8ClFN4
Molecular Weight
190.600000
Exact Mass
190.042152
SMILES
CC(C)(C1=NC(=NC(=N1)Cl)N)F
InChI
InChI=1S/C6H8ClFN4/c1-6(2,8)3-10-4(7)12-5(9)11-3/h1-2H3,(H2,9,10,11,12)
InChIKey
QLGAUXJYKAVRNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.38
TPSA
64.69

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
1.4
Consensus LogP
1.29
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-2.95

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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