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CAS 28447-17-8 ETHYL 3-(3-PYRIDYL)ACRYLATE molecular structure lightbox
CAS RN: 28447-17-8

ETHYL 3-(3-PYRIDYL)ACRYLATE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250706 100mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS28447-17-8
  • Purity/Analytical Methods: >99.0%
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28447-17-8 / ethyl 3-pyridin-3-ylprop-2-enoate

Standard CAS: 28447-17-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28447-17-8
Multi CAS
Yes
Molecular Formula
C10H11NO2
Molecular Weight
177.200000
Exact Mass
177.078979
InChI
InChI=1S/C10H11NO2/c1-2-13-10(12)6-5-9-4-3-7-11-8-9/h3-8H,2H2,1H3
InChIKey
PIEQSBWGIODYPE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
49.9
TPSA
39.19

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
1.5
Consensus LogP
1.54
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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