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CAS 129-56-6 Anthra[1,9-cd]pyrazol-6(2H)-one molecular structure lightbox
CAS RN: 129-56-6

Anthra[1,9-cd]pyrazol-6(2H)-one

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 100mg In stock Shanghai Inquiry
Batchno.20251126 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260402 1mg In stock Shanghai Inquiry
Batchno.20260401 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250726 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20251002 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250910 5g In stock Tianjin Inquiry
  • Product code: SSC-036187
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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
  • 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 129-56-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

129-56-6 / 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one

Standard CAS: 129-56-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
129-56-6
Multi CAS
No
Molecular Formula
C14H8N2O
Molecular Weight
220.230000
Exact Mass
220.063663
SMILES
C1=CC=C2C(=C1)C3=NNC4=CC=CC(=C43)C2=O
InChI
InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
InChIKey
ACPOUJIDANTYHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.96
TPSA
45.75

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.7
Consensus LogP
2.64
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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