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CAS 153463-57-1 3-chloro-5-ethoxypyridine-4-carbonitrile molecular structure lightbox
CAS RN: 153463-57-1

3-chloro-5-ethoxypyridine-4-carbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250427 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-062925
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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: 0.25g
  • 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 153463-57-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

153463-57-1 / 3-chloro-5-ethoxypyridine-4-carbonitrile

Standard CAS: 153463-57-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153463-57-1
Multi CAS
No
Molecular Formula
C8H7ClN2O
Molecular Weight
182.610000
Exact Mass
182.024691
SMILES
CCOC1=CN=CC(=C1C#N)Cl
InChI
InChI=1S/C8H7ClN2O/c1-2-12-8-5-11-4-7(9)6(8)3-10/h4-5H,2H2,1H3
InChIKey
KUYZWPHLKDFTRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
45.13
TPSA
45.91

LogP / Solubility

WLOGP
2.01
MLOGP
1.76
XLogP3
1.5
Consensus LogP
1.76
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.41

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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