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CAS 14080-23-0 2-Cyanopyrimidine molecular structure lightbox
CAS RN: 14080-23-0

2-Cyanopyrimidine

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250110 100g In stock Shanghai Inquiry
Batchno.20260201 10g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250116 1g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250320 1kg In stock Shanghai Inquiry
Batchno.20260623 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250506 500g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-051282
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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, 10g, 25g, 100g
  • Available purity: ≥98%
  • 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 14080-23-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

14080-23-0 / pyrimidine-2-carbonitrile

Standard CAS: 14080-23-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14080-23-0
Multi CAS
No
Molecular Formula
C5H3N3
Molecular Weight
105.100000
Exact Mass
105.032697
SMILES
C1=CN=C(N=C1)C#N
InChI
InChI=1S/C5H3N3/c6-4-5-7-2-1-3-8-5/h1-3H
InChIKey
IIHQNAXFIODVDU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
3
Molar refractivity
26.75
TPSA
49.57

LogP / Solubility

WLOGP
0.35
MLOGP
0.3
XLogP3
-0.3
Consensus LogP
0.12
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
Class (SILICOS-IT)
Very 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)
-3.11

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (92.2%): Toxic if swallowed [Danger Acute toxicity, oral] H317 (92.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501

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