CAS RN: 1033767-86-0
BAY-474
Product Availability
Choose a grade to view its available package options.
14 package records13 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250529 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250407 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250315 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250430 | 1g | Out of stock | Inquiry | |
| Batchno.20250118 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250709 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250405 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250629 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260601 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS1033767-86-0
- Purity/Analytical Methods: >99.0%
1033767-86-0 / 2,6-dimethyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
BAY-474 | 2,6-Dimethyl-4-(3-methyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile | 2,6-dimethyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
Basic Information
CAS
1033767-86-0
Multi CAS
No
Molecular Formula
C17H15N5
Molecular Weight
289.330000
Exact Mass
289.132746
SMILES
CC1=C2C=C(C=CC2=NN1)C3C(=C(NC(=C3C#N)C)C)C#N
InChI
InChI=1S/C17H15N5/c1-9-14(7-18)17(15(8-19)10(2)20-9)12-4-5-16-13(6-12)11(3)21-22-16/h4-6,17,20H,1-3H3,(H,21,22)
InChIKey
QKVFMAAIXZONRN-UHFFFAOYSA-N
Synonyms
BAY-474
2,6-Dimethyl-4-(3-methyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
2,6-dimethyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
1,4-dihydro-2,6-dimethyl-4-(3-methyl-1H-indazol-5-yl)-3,5-pyridinedicarbonitrile
orb1299400
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.24
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
83.33
TPSA
88.29
LogP / Solubility
WLOGP
3.15
MLOGP
2.79
XLogP3
2.3
Consensus LogP
2.75
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
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
No
Log Kp (skin permeation)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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