CAS RN: 209986-17-4
γ-Secretase Inhibitor XXI
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250728 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260503 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250227 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250919 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250123 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260201 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260403 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS209986-17-4
- Purity/Analytical Methods: >99.0%
209986-17-4 / (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide
Basic Information
CAS
209986-17-4
Multi CAS
No
Molecular Formula
C27H24F2N4O3
Molecular Weight
490.500000
Exact Mass
490.181647
SMILES
C[C@@H](C(=O)N[C@@H]1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CC4=CC(=CC(=C4)F)F
InChI
InChI=1S/C27H24F2N4O3/c1-16(30-23(34)14-17-12-19(28)15-20(29)13-17)26(35)32-25-27(36)33(2)22-11-7-6-10-21(22)24(31-25)18-8-4-3-5-9-18/h3-13,15-16,25H,14H2,1-2H3,(H,30,34)(H,32,35)/t16-,25+/m0/s1
InChIKey
JNGZXGGOCLZBFB-IVCQMTBJSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
131.53
TPSA
90.87
LogP / Solubility
WLOGP
2.97
MLOGP
2.65
XLogP3
3.6
Consensus LogP
3.07
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
Class (SILICOS-IT)
Insoluble
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)
-3.6
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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