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CAS 2426-94-0 4,4′-Bipyrimidine molecular structure lightbox
CAS RN: 2426-94-0

4,4′-Bipyrimidine

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250925 100mg In stock Shanghai Inquiry
Batchno.20250202 1g In stock Shanghai Inquiry
Batchno.20260324 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251204 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS2426-94-0
  • Purity/Analytical Methods: >99.0%
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2426-94-0 / 4-pyrimidin-4-ylpyrimidine

Standard CAS: 2426-94-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2426-94-0
Multi CAS
No
Molecular Formula
C8H6N4
Molecular Weight
158.160000
Exact Mass
158.059246
SMILES
C1=CN=CN=C1C2=NC=NC=C2
InChI
InChI=1S/C8H6N4/c1-3-9-5-11-7(1)8-2-4-10-6-12-8/h1-6H
InChIKey
TZLCPYJWWDXRMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
43.06
TPSA
51.56

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
0.2
Consensus LogP
0.65
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-3.02

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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