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CAS 1319248-18-4 Phenol, 4-(2,6-di-2-pyrazinyl-4-pyridinyl)- molecular structure lightbox
CAS RN: 1319248-18-4

Phenol, 4-(2,6-di-2-pyrazinyl-4-pyridinyl)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250116 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1319248-18-4
  • Purity/Analytical Methods: >99.0%
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1319248-18-4 / 4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]phenol

Standard CAS: 1319248-18-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1319248-18-4
Multi CAS
No
Molecular Formula
C19H13N5O
Molecular Weight
327.300000
Exact Mass
327.112010
SMILES
C1=CC(=CC=C1C2=CC(=NC(=C2)C3=NC=CN=C3)C4=NC=CN=C4)O
InChI
InChI=1S/C19H13N5O/c25-15-3-1-13(2-4-15)14-9-16(18-11-20-5-7-22-18)24-17(10-14)19-12-21-6-8-23-19/h1-12,25H
InChIKey
LRXPIZIEDXJLPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
93.39
TPSA
84.68

LogP / Solubility

WLOGP
3.37
MLOGP
2.98
XLogP3
1.2
Consensus LogP
2.52
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
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
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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