CAS RN: 2123491-32-5
CLK1-IN-1
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251209 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2123491-32-5
- Purity/Analytical Methods: >99.0%
2123491-32-5 / 5-[1-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole
Basic Information
CAS
2123491-32-5
Multi CAS
No
Molecular Formula
C24H16FN5O
Molecular Weight
409.400000
Exact Mass
409.133888
SMILES
C[C@@H](C1=CC=C(C=C1)F)N2C3=C4C=C(C=CC4=NC=C3N=N2)C5=CC6=C(C=C5)OC=N6
InChI
InChI=1S/C24H16FN5O/c1-14(15-2-6-18(25)7-3-15)30-24-19-10-16(4-8-20(19)26-12-22(24)28-29-30)17-5-9-23-21(11-17)27-13-31-23/h2-14H,1H3/t14-/m0/s1
InChIKey
BHKVSOQUPYXVRZ-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
28
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
116.05
TPSA
69.63
LogP / Solubility
WLOGP
5.54
MLOGP
4.9
XLogP3
4.9
Consensus LogP
5.11
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-6.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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