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CAS 286456-42-6 L-838417 molecular structure lightbox
CAS RN: 286456-42-6

L-838417

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251231 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS286456-42-6
  • Purity/Analytical Methods: >99.0%
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286456-42-6 / 7-tert-butyl-3-(2,5-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine

Standard CAS: 286456-42-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
286456-42-6
Multi CAS
No
Molecular Formula
C19F2H19N7O
Molecular Weight
399.400000
Exact Mass
399.161915
InChI
InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3
InChIKey
BQDUNOMMYOKHEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
20
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
100.17
TPSA
83.02

LogP / Solubility

WLOGP
3.07
MLOGP
2.73
XLogP3
3.2
Consensus LogP
3
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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