CAS RN: 1893415-00-3
2,2-difluoro-N-((1R,2S)-3-methyl-1-((1-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indazol-5-yl)oxy)-1-phenylbutan-2-yl)propanamide
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250102 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250913 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250105 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250802 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251022 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251003 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1893415-00-3
- Purity/Analytical Methods: >99.0%
1893415-00-3 / 2,2-difluoro-N-[(1R,2S)-3-methyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]oxy-1-phenylbutan-2-yl]propanamide
Basic Information
CAS
1893415-00-3
Multi CAS
No
Molecular Formula
C27H28F2N4O3
Molecular Weight
494.500000
Exact Mass
494.212947
SMILES
CC(C)[C@@H]([C@@H](C1=CC=CC=C1)OC2=CC3=C(C=C2)N(N=C3)C4=CN(C(=O)C=C4)C)NC(=O)C(C)(F)F
InChI
InChI=1S/C27H28F2N4O3/c1-17(2)24(31-26(35)27(3,28)29)25(18-8-6-5-7-9-18)36-21-11-12-22-19(14-21)15-30-33(22)20-10-13-23(34)32(4)16-20/h5-17,24-25H,1-4H3,(H,31,35)/t24-,25+/m0/s1
InChIKey
ZQFNDBISEYQVRR-LOSJGSFVSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
21
Fraction Csp3
0.3
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
1
Molar refractivity
133.51
TPSA
78.15
LogP / Solubility
WLOGP
4.64
MLOGP
4.12
XLogP3
4.7
Consensus LogP
4.49
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.69
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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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