CAS RN: 936889-68-8
OXA-01
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.20250528 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS936889-68-8
- Purity/Analytical Methods: >99.0%
936889-68-8 / 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
Basic Information
CAS
936889-68-8
Multi CAS
No
Molecular Formula
C21H20CLN5O2
Molecular Weight
409.900000
Exact Mass
409.130553
InChI
InChI=1S/C21H20ClN5O2/c22-14-3-1-2-13-10-15(25-16(13)14)17-18-19(23)24-8-9-27(18)20(26-17)11-4-6-12(7-5-11)21(28)29/h1-3,8-12,25H,4-7H2,(H2,23,24)(H,28,29)
InChIKey
UXCAKZGNKOZXBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
112.04
TPSA
109.3
LogP / Solubility
WLOGP
4.47
MLOGP
3.96
XLogP3
3.7
Consensus LogP
4.04
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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