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CAS 945717-09-9 2-Chloro-4-ethynylpyridine molecular structure lightbox
CAS RN: 945717-09-9

2-Chloro-4-ethynylpyridine

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250717 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251230 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20251223 250mg In stock Shanghai Inquiry
Batchno.20251211 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
Batchno.20250512 25g In stock Shanghai Inquiry
Batchno.20251106 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-209642
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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: 5g
  • Available purity: ＞97%
  • 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 945717-09-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

945717-09-9 / 2-chloro-4-ethynylpyridine

Standard CAS: 945717-09-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
945717-09-9
Multi CAS
No
Molecular Formula
C7H4CLN
Molecular Weight
137.560000
Exact Mass
137.003227
InChI
InChI=1S/C7H4ClN/c1-2-6-3-4-9-7(8)5-6/h1,3-5H
InChIKey
DLEWWBKXDRBGRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
37.18
TPSA
12.89

LogP / Solubility

WLOGP
1.72
MLOGP
1.5
XLogP3
2.1
Consensus LogP
1.77
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
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)
-2.34

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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