CAS RN: 2097002-61-2
Selitrectinib
Product Availability
Choose a grade to view its available package options.
10 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260209 | 100mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250205 | 1mg / 5mg / 10mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250515 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250824 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250213 | 50mg | In stock | Shanghai | Inquiry |
- Product code: LINS897354
2097002-61-2 / (6R,15R)-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
Basic Information
CAS
2097002-61-2
Multi CAS
No
Molecular Formula
C20H21FN6O
Molecular Weight
380.400000
Exact Mass
380.176087
SMILES
C[C@@H]1CCC2=C(C=C(C=N2)F)[C@H]3CCCN3C4=NC5=C(C=NN5C=C4)C(=O)N1
InChI
InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1
InChIKey
OEBIHOVSAMBXIB-SJKOYZFVSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
101.75
TPSA
75.42
LogP / Solubility
WLOGP
2.67
MLOGP
2.37
XLogP3
2
Consensus LogP
2.35
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8
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