CAS RN: 1439399-58-2
CB-839
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260215 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250422 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250430 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250513 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250113 | 250mg | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20260504 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20251010 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250215 | 5g | In stock | Shanghai | Inquiry |
| Batchno.20250423 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1439399-58-2
- Purity/Analytical Methods: >99.0%
1439399-58-2 / N-[6-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
Basic Information
CAS
1439399-58-2
Multi CAS
No
Molecular Formula
C26H24F3N7O3S
Molecular Weight
571.600000
Exact Mass
571.161343
SMILES
C1=CC=NC(=C1)CC(=O)NC2=NN=C(S2)CCCCC3=NN=C(C=C3)NC(=O)CC4=CC(=CC=C4)OC(F)(F)F
InChI
InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)
InChIKey
PRAAPINBUWJLGA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
23
Fraction Csp3
0.27
Rotatable bonds
12
H-bond acceptors
9
H-bond donors
2
Molar refractivity
140.61
TPSA
131.88
LogP / Solubility
WLOGP
4.55
MLOGP
4.05
XLogP3
3.6
Consensus LogP
4.07
Log S (ESOL)
-5.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.59
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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