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CAS 137000-75-0 2,5-Diethynylpyridine molecular structure lightbox
CAS RN: 137000-75-0

2,5-Diethynylpyridine

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250428 100mg In stock Inquiry
Batchno.20250730 1g In stock Inquiry
Batchno.20260331 250mg In stock Inquiry
Batchno.20260613 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250503 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250906 1g In stock Shanghai Inquiry
Batchno.20260528 250mg In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-046508
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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: ≥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 137000-75-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry

137000-75-0 / 2,5-diethynylpyridine

Standard CAS: 137000-75-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
137000-75-0
Multi CAS
No
Molecular Formula
C9H5N
Molecular Weight
127.140000
Exact Mass
127.042199
SMILES
C#CC1=CN=C(C=C1)C#C
InChI
InChI=1S/C9H5N/c1-3-8-5-6-9(4-2)10-7-8/h1-2,5-7H
InChIKey
XTNNSWWCUMBUHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
40.11
TPSA
12.89

LogP / Solubility

WLOGP
1.04
MLOGP
0.91
XLogP3
1.4
Consensus LogP
1.12
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-2.75

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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