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CAS 1221186-53-3 6-[(3-aMinophenyl)Methyl]-4,6-dihydro-4-Methyl-2-(Methylsulfinyl)-5H-Thieno[2′,3′:4,5]pyrrolo[2,3-d]pyridazin-5-one molecular structure lightbox
CAS RN: 1221186-53-3

6-[(3-aMinophenyl)Methyl]-4,6-dihydro-4-Methyl-2-(Methylsulfinyl)-5H-Thieno[2′,3′:4,5]pyrrolo[2,3-d]pyridazin-5-one

Product Availability

Choose a grade to view its available package options.

12 package records12 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250715 100mg In stock Shanghai Inquiry
Batchno.20250124 10mg In stock Shanghai Inquiry
Batchno.20260120 250mg In stock Shanghai Inquiry
Batchno.20250512 25mg In stock Shanghai Inquiry
Batchno.20251127 50mg In stock Shanghai Inquiry
Batchno.20260527 5mg In stock Shanghai Inquiry
Batchno.20260119 5mg / 20mg / 100mg Confirm by inquiry Shanghai, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260415 100mg In stock Inquiry
Batchno.20251127 10mg In stock Inquiry
Batchno.20250908 25mg In stock Inquiry
Batchno.20250711 50mg In stock Inquiry
Batchno.20250326 5mg In stock Inquiry
  • Product code: SSC-025052
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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: 0.1g
  • 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 1221186-53-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1221186-53-3 / 10-[(3-aminophenyl)methyl]-7-methyl-4-methylsulfinyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one

Standard CAS: 1221186-53-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1221186-53-3
Multi CAS
No
Molecular Formula
C17H16N4O2S2
Molecular Weight
372.500000
Exact Mass
372.071468
SMILES
CN1C2=C(C3=C1C(=O)N(N=C3)CC4=CC(=CC=C4)N)SC(=C2)S(=O)C
InChI
InChI=1S/C17H16N4O2S2/c1-20-13-7-14(25(2)23)24-16(13)12-8-19-21(17(22)15(12)20)9-10-4-3-5-11(18)6-10/h3-8H,9,18H2,1-2H3
InChIKey
ZWKJWVSEDISQIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
102.65
TPSA
82.91

LogP / Solubility

WLOGP
2.32
MLOGP
2.06
XLogP3
1.3
Consensus LogP
1.89
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
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
No
Log Kp (skin permeation)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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