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CAS 252977-54-1 7-tert-butyl-6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine molecular structure lightbox
CAS RN: 252977-54-1

7-tert-butyl-6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251230 1g Out of stock 15 business days Inquiry
  • Product code: SSC-121147
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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 252977-54-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

252977-54-1 / 7-tert-butyl-6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

Standard CAS: 252977-54-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252977-54-1
Multi CAS
No
Molecular Formula
C15H14ClFN4
Molecular Weight
304.750000
Exact Mass
304.089102
SMILES
CC(C)(C)C1=CC2=NN=C(N2N=C1Cl)C3=CC=CC=C3F
InChI
InChI=1S/C15H14ClFN4/c1-15(2,3)10-8-12-18-19-14(21(12)20-13(10)16)9-6-4-5-7-11(9)17/h4-8H,1-3H3
InChIKey
KXRSWXZVHQRQTP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
79.89
TPSA
43.08

LogP / Solubility

WLOGP
3.88
MLOGP
3.43
XLogP3
4.1
Consensus LogP
3.8
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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