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CAS 56100-24-4 [2,2′-Bipyridine]-5-carboxylic acid, ethyl ester molecular structure lightbox
CAS RN: 56100-24-4

[2,2′-Bipyridine]-5-carboxylic acid, ethyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250705 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS56100-24-4
  • Purity/Analytical Methods: >99.0%
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56100-24-4 / ethyl 6-pyridin-2-ylpyridine-3-carboxylate

Standard CAS: 56100-24-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56100-24-4
Multi CAS
No
Molecular Formula
C13H12N2O2
Molecular Weight
228.250000
Exact Mass
228.089878
InChI
InChI=1S/C13H12N2O2/c1-2-17-13(16)10-6-7-12(15-9-10)11-5-3-4-8-14-11/h3-9H,2H2,1H3
InChIKey
NRQXZUUUMKNKGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
63.42
TPSA
52.08

LogP / Solubility

WLOGP
2.32
MLOGP
2.05
XLogP3
1.7
Consensus LogP
2.02
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46

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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