CAS RN: 1258294-34-6
2-chloro-4-cyano-6-fluoro-N-(2-((1R,2R)-2-fluorocyclopropanecarboxaMido)pyridin-4-yl)benzaMide
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251207 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251214 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250724 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250129 | 25mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250303 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1258294-34-6
- Purity/Analytical Methods: >99.0%
1258294-34-6 / 2-chloro-4-cyano-6-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
Basic Information
CAS
1258294-34-6
Multi CAS
No
Molecular Formula
C17H11ClF2N4O2
Molecular Weight
376.700000
Exact Mass
376.053860
SMILES
C1[C@@H]([C@@H]1F)C(=O)NC2=NC=CC(=C2)NC(=O)C3=C(C=C(C=C3Cl)C#N)F
InChI
InChI=1S/C17H11ClF2N4O2/c18-11-3-8(7-21)4-13(20)15(11)17(26)23-9-1-2-22-14(5-9)24-16(25)10-6-12(10)19/h1-5,10,12H,6H2,(H2,22,23,24,25,26)/t10-,12+/m0/s1
InChIKey
NKALKXMQBFLGQI-CMPLNLGQSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
89.95
TPSA
94.88
LogP / Solubility
WLOGP
3.29
MLOGP
2.92
XLogP3
2.2
Consensus LogP
2.8
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
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)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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