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CAS 24489-96-1 2-PROPENOIC ACID, 3-(4-PYRIDINYL)-, ETHYL ESTER molecular structure lightbox
CAS RN: 24489-96-1

2-PROPENOIC ACID, 3-(4-PYRIDINYL)-, ETHYL ESTER

  • Product code: SSC-119117
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 24489-96-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

24489-96-1 / ethyl (E)-3-pyridin-2-ylprop-2-enoate

Standard CAS: 24489-96-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24489-96-1
Multi CAS
No
Molecular Formula
C10H11NO2
Molecular Weight
177.200000
Exact Mass
177.078979
SMILES
CCOC(=O)/C=C/C1=CC=CC=N1
InChI
InChI=1S/C10H11NO2/c1-2-13-10(12)7-6-9-5-3-4-8-11-9/h3-8H,2H2,1H3/b7-6+
InChIKey
KLWMOCBNXFKZOS-VOTSOKGWSA-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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