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CAS 150059-62-4 Pyridin-2-yl-acetic acid tert-butyl ester molecular structure lightbox
CAS RN: 150059-62-4

Pyridin-2-yl-acetic acid tert-butyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251229 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS150059-62-4
  • Purity/Analytical Methods: >99.0%
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150059-62-4 / tert-butyl 2-pyridin-2-ylacetate

Standard CAS: 150059-62-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
150059-62-4
Multi CAS
No
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
SMILES
CC(C)(C)OC(=O)CC1=CC=CC=N1
InChI
InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)8-9-6-4-5-7-12-9/h4-7H,8H2,1-3H3
InChIKey
QWIGLFXNZSUNPE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
53.79
TPSA
39.19

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
1.3
Consensus LogP
1.67
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.5

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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