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CAS 25742-87-4 4a,5,6,7-tetrahydro-2H-benzo[6,7]cyclohepta[1,2-c]pyridazin-3(4H)-one molecular structure lightbox
CAS RN: 25742-87-4

4a,5,6,7-tetrahydro-2H-benzo[6,7]cyclohepta[1,2-c]pyridazin-3(4H)-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250408 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-122234
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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 25742-87-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

25742-87-4 / 3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-5-one

Standard CAS: 25742-87-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25742-87-4
Multi CAS
No
Molecular Formula
C13H14N2O
Molecular Weight
214.260000
Exact Mass
214.110613
SMILES
C1CC2CC(=O)NN=C2C3=CC=CC=C3C1
InChI
InChI=1S/C13H14N2O/c16-12-8-10-6-3-5-9-4-1-2-7-11(9)13(10)15-14-12/h1-2,4,7,10H,3,5-6,8H2,(H,14,16)
InChIKey
MIBBXYFRYDOZLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.17
TPSA
41.46

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
1.9
Consensus LogP
1.8
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately 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)
-2.7

Drug-likeness / Medicinal Chemistry

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

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