CAS RN: 2170729-29-8
AT-007
Product Availability
Choose a grade to view its available package options.
10 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250628 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250519 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251111 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250528 | 25mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251024 | 50mg | In stock | Shanghai | Inquiry |
- Product code: SSC-104541
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2170729-29-8 / 2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]thieno[3,4-d]pyridazin-1-yl]acetic acid
Basic Information
CAS
2170729-29-8
Multi CAS
No
Molecular Formula
C17H10F3N3O3S2
Molecular Weight
425.400000
Exact Mass
425.011568
SMILES
C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CN3C(=O)C4=CSC=C4C(=N3)CC(=O)O
InChI
InChI=1S/C17H10F3N3O3S2/c18-17(19,20)8-1-2-13-12(3-8)21-14(28-13)5-23-16(26)10-7-27-6-9(10)11(22-23)4-15(24)25/h1-3,6-7H,4-5H2,(H,24,25)
InChIKey
ORQGHAJIWGGFJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
98.94
TPSA
85.08
LogP / Solubility
WLOGP
3.76
MLOGP
3.34
XLogP3
3.2
Consensus LogP
3.43
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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