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CAS 253-52-1 Phthalazine molecular structure lightbox
CAS RN: 253-52-1

Phthalazine

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250929 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20250623 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20250710 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260206 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260529 500g In stock Shanghai Inquiry
Batchno.20260209 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-121154
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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: >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 253-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

253-52-1 / phthalazine

Standard CAS: 253-52-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
253-52-1
Multi CAS
No
Molecular Formula
C8H6N2
Molecular Weight
130.150000
Exact Mass
130.053098
SMILES
C1=CC=C2C=NN=CC2=C1
InChI
InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H
InChIKey
LFSXCDWNBUNEEM-UHFFFAOYSA-N

Physical Properties

Physical Description
Pale yellow solid; [Merck Index] Yellow crystalline solid
State
Solid

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
0.6
Consensus LogP
1.22
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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