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CAS 1451993-15-9 5-Amino-3,4-dimethyl-thieno[2,3-c]pyridazine-6-carboxylic acid 4-trifluoromethanesulfonyl-benzylamide molecular structure lightbox
CAS RN: 1451993-15-9

5-Amino-3,4-dimethyl-thieno[2,3-c]pyridazine-6-carboxylic acid 4-trifluoromethanesulfonyl-benzylamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250507 5mg / 10mg Confirm by inquiry Shandong Inquiry
  • Product code: SSC-056571
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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 1451993-15-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1451993-15-9 / 5-amino-3,4-dimethyl-N-[[4-(trifluoromethylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide

Standard CAS: 1451993-15-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1451993-15-9
Multi CAS
No
Molecular Formula
C17H15F3N4O3S2
Molecular Weight
444.500000
Exact Mass
444.053767
SMILES
CC1=C(N=NC2=C1C(=C(S2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F)N)C
InChI
InChI=1S/C17H15F3N4O3S2/c1-8-9(2)23-24-16-12(8)13(21)14(28-16)15(25)22-7-10-3-5-11(6-4-10)29(26,27)17(18,19)20/h3-6H,7,21H2,1-2H3,(H,22,25)
InChIKey
UDSFKIFLJPECRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
102.15
TPSA
115.04

LogP / Solubility

WLOGP
3.11
MLOGP
2.77
XLogP3
3.4
Consensus LogP
3.09
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.22

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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