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CAS 19953-58-3 CLA [Chemiluminescence Reagent] molecular structure lightbox
CAS RN: 19953-58-3

CLA [Chemiluminescence Reagent]

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251112 1mg In stock Shanghai, Shandong Inquiry
Batchno.20250822 5mg In stock Shandong Inquiry
  • Product code: ICTA5307
  • Purity/Analytical Methods: >98.0%(HPLC)
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19953-58-3 / 2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol

Standard CAS: 19953-58-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19953-58-3
Multi CAS
No
Molecular Formula
C13H11N3O
Molecular Weight
225.250000
Exact Mass
225.090212
SMILES
CC1=C(N2C=C(N=CC2=N1)C3=CC=CC=C3)O
InChI
InChI=1S/C13H11N3O/c1-9-13(17)16-8-11(14-7-12(16)15-9)10-5-3-2-4-6-10/h2-8,17H,1H3
InChIKey
CZFAZZHPAZFANU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.82
TPSA
50.42

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
2.7
Consensus LogP
2.41
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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