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CAS 2095704-43-9 SLV-2436 molecular structure lightbox
CAS RN: 2095704-43-9

SLV-2436

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5 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260216 5mg / 10mg / 25mg / 50mg Confirm by inquiry Shanghai Inquiry
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  • Product code: starshine_CAS2095704-43-9
  • Purity/Analytical Methods: >99.0%
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2095704-43-9 / 5-(3-amino-1H-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one

Standard CAS: 2095704-43-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2095704-43-9
Multi CAS
No
Molecular Formula
C19H15ClN4O
Molecular Weight
350.800000
Exact Mass
350.093439
SMILES
C1=CC(=CC(=C1)Cl)CN2C=C(C=CC2=O)C3=CC4=C(C=C3)C(=NN4)N
InChI
InChI=1S/C19H15ClN4O/c20-15-3-1-2-12(8-15)10-24-11-14(5-7-18(24)25)13-4-6-16-17(9-13)22-23-19(16)21/h1-9,11H,10H2,(H3,21,22,23)
InChIKey
YQVUADHJKWJHAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
100.76
TPSA
76.7

LogP / Solubility

WLOGP
3.68
MLOGP
3.25
XLogP3
3
Consensus LogP
3.31
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
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
Yes
Log Kp (skin permeation)
-2.25

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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