CAS RN: 835904-51-3
Synta66
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260317 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250417 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250816 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260422 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260629 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250910 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251114 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251231 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS835904-51-3
- Purity/Analytical Methods: >99.0%
835904-51-3 / N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide
Basic Information
CAS
835904-51-3
Multi CAS
No
Molecular Formula
C20FH17N2O3
Molecular Weight
352.400000
Exact Mass
352.122321
InChI
InChI=1S/C20H17FN2O3/c1-25-15-7-8-19(26-2)17(11-15)13-3-5-14(6-4-13)23-20(24)16-9-10-22-12-18(16)21/h3-12H,1-2H3,(H,23,24)
InChIKey
GFEIWXNLDKUWIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
97.13
TPSA
60.45
LogP / Solubility
WLOGP
4.16
MLOGP
3.68
XLogP3
3.4
Consensus LogP
3.75
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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