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CAS 253-66-7 Cinnoline molecular structure lightbox
CAS RN: 253-66-7

Cinnoline

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250409 100mg In stock Shanghai Inquiry
Batchno.20251206 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-121155
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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 253-66-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

253-66-7 / cinnoline

Standard CAS: 253-66-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
253-66-7
Multi CAS
No
Molecular Formula
C8H6N2
Molecular Weight
130.150000
Exact Mass
130.053098
SMILES
C1=CC=C2C(=C1)C=CN=N2
InChI
InChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-6-9-10-8/h1-6H
InChIKey
WCZVZNOTHYJIEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
39.54
TPSA
25.78

LogP / Solubility

WLOGP
1.63
MLOGP
1.43
XLogP3
0.9
Consensus LogP
1.32
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-2.36

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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