CAS RN: 1355612-71-3
Aldose reductase-IN-1
Product Availability
Choose a grade to view its available package options.
11 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260201 | 10mg | In stock | Inquiry | ||
| Batchno.20250623 | 1mg | In stock | Inquiry | ||
| Batchno.20260304 | 25mg | In stock | Inquiry | ||
| Batchno.20260101 | 50mg | In stock | Inquiry | ||
| Batchno.20250511 | 5mg | In stock | Inquiry | ||
| Batchno.20250110 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1355612-71-3
- Purity/Analytical Methods: >99.0%
1355612-71-3 / 2-[5-oxo-6-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyrazino[2,3-d]pyridazin-8-yl]acetic acid
Basic Information
CAS
1355612-71-3
Multi CAS
No
Molecular Formula
C17H10F3N5O3S
Molecular Weight
421.400000
Exact Mass
421.045645
SMILES
C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CN3C(=O)C4=NC=CN=C4C(=N3)CC(=O)O
InChI
InChI=1S/C17H10F3N5O3S/c18-17(19,20)8-1-2-11-9(5-8)23-12(29-11)7-25-16(28)15-14(21-3-4-22-15)10(24-25)6-13(26)27/h1-5H,6-7H2,(H,26,27)
InChIKey
YRGPAXAVTDMKDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
19
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
96.66
TPSA
110.86
LogP / Solubility
WLOGP
2.49
MLOGP
2.22
XLogP3
2.3
Consensus LogP
2.34
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52
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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