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CAS 865444-79-7 4-CHLORO-5-METHYL-IMIDAZO[5,1-F][1,2,4]TRIAZINE molecular structure lightbox
CAS RN: 865444-79-7

4-CHLORO-5-METHYL-IMIDAZO[5,1-F][1,2,4]TRIAZINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260530 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS865444-79-7
  • Purity/Analytical Methods: >99.0%
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865444-79-7 / 4-chloro-5-methylimidazo[5,1-f][1,2,4]triazine

Standard CAS: 865444-79-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
865444-79-7
Multi CAS
No
Molecular Formula
C6H5CLN4
Molecular Weight
168.580000
Exact Mass
168.020274
InChI
InChI=1S/C6H5ClN4/c1-4-5-6(7)8-2-10-11(5)3-9-4/h2-3H,1H3
InChIKey
KUQZKUDARXMPQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
Molar refractivity
40.53
TPSA
43.08

LogP / Solubility

WLOGP
1.09
MLOGP
0.95
XLogP3
1.1
Consensus LogP
1.05
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
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)
-2.98

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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