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CAS 40805-79-6 5-CYANOPYRIMIDINE molecular structure lightbox
CAS RN: 40805-79-6

5-CYANOPYRIMIDINE

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250609 1g In stock Shanghai, Shandong Inquiry
Batchno.20250115 250mg In stock Shandong Inquiry
  • Product code: SSC-149147
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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, 1g, 5g, 10g
  • 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 40805-79-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry

40805-79-6 / pyrimidine-5-carbonitrile

Standard CAS: 40805-79-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40805-79-6
Multi CAS
No
Molecular Formula
C5H3N3
Molecular Weight
105.100000
Exact Mass
105.032697
InChI
InChI=1S/C5H3N3/c6-1-5-2-7-4-8-3-5/h2-4H
InChIKey
XVIAPHVAGFEFFN-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
-0.1
Consensus LogP
0.18
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

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