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CAS 1231761-02-6 5-Cyanoquinazoline molecular structure lightbox
CAS RN: 1231761-02-6

5-Cyanoquinazoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250120 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-026788
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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: 1g
  • 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 1231761-02-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1231761-02-6 / quinazoline-5-carbonitrile

Standard CAS: 1231761-02-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1231761-02-6
Multi CAS
No
Molecular Formula
C9H5N3
Molecular Weight
155.160000
Exact Mass
155.048347
SMILES
C1=CC(=C2C=NC=NC2=C1)C#N
InChI
InChI=1S/C9H5N3/c10-4-7-2-1-3-9-8(7)5-11-6-12-9/h1-3,5-6H
InChIKey
OPZNJYOCOUQAQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
44.25
TPSA
49.57

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1.3
Consensus LogP
1.37
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

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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