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CAS 1374155-84-6 3,5-bis(1-imidazoly)pyridine molecular structure lightbox
CAS RN: 1374155-84-6

3,5-bis(1-imidazoly)pyridine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260101 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1374155-84-6
  • Purity/Analytical Methods: >99.0%
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1374155-84-6 / 3,5-di(imidazol-1-yl)pyridine

Standard CAS: 1374155-84-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374155-84-6
Multi CAS
No
Molecular Formula
C11H9N5
Molecular Weight
211.220000
Exact Mass
211.085795
SMILES
C1=CN(C=N1)C2=CC(=CN=C2)N3C=CN=C3
InChI
InChI=1S/C11H9N5/c1-3-15(8-12-1)10-5-11(7-14-6-10)16-4-2-13-9-16/h1-9H
InChIKey
FBPFYCGCNHLTGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
58.48
TPSA
48.53

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
0.4
Consensus LogP
1.04
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately 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)
-2.98

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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