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CAS 210363-85-2 4-(2-Thienyl)-2,2‘-bipyridine molecular structure lightbox
CAS RN: 210363-85-2

4-(2-Thienyl)-2,2‘-bipyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250430 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: LINT888129
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210363-85-2 / 2-pyridin-2-yl-4-thiophen-2-ylpyridine

Standard CAS: 210363-85-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210363-85-2
Multi CAS
No
Molecular Formula
C14H10N2S
Molecular Weight
238.310000
Exact Mass
238.056470
SMILES
C1=CC=NC(=C1)C2=NC=CC(=C2)C3=CC=CS3
InChI
InChI=1S/C14H10N2S/c1-2-7-15-12(4-1)13-10-11(6-8-16-13)14-5-3-9-17-14/h1-10H
InChIKey
SLGDHXJAMVNOMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
70.78
TPSA
25.78

LogP / Solubility

WLOGP
3.87
MLOGP
3.41
XLogP3
2.8
Consensus LogP
3.36
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
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)
-1.42

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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