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CAS 148332-31-4 ETHYL 2,2′:6′,2”-TERPYRIDINE-4′-CARBOXYLATE molecular structure lightbox
CAS RN: 148332-31-4

ETHYL 2,2′:6′,2”-TERPYRIDINE-4′-CARBOXYLATE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260430 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250717 1g In stock Shanghai Inquiry
Batchno.20260127 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250804 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS148332-31-4
  • Purity/Analytical Methods: >99.0%
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148332-31-4 / ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate

Standard CAS: 148332-31-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
148332-31-4
Multi CAS
No
Molecular Formula
C18H15N3O2
Molecular Weight
305.300000
Exact Mass
305.116427
SMILES
CCOC(=O)C1=CC(=NC(=C1)C2=CC=CC=N2)C3=CC=CC=N3
InChI
InChI=1S/C18H15N3O2/c1-2-23-18(22)13-11-16(14-7-3-5-9-19-14)21-17(12-13)15-8-4-6-10-20-15/h3-12H,2H2,1H3
InChIKey
COUKWHIHLXNYAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
86.66
TPSA
64.97

LogP / Solubility

WLOGP
3.38
MLOGP
2.99
XLogP3
2.3
Consensus LogP
2.89
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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