CAS RN: 2173134-00-2
vanin-1 inhibitor
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250417 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2173134-00-2
- Purity/Analytical Methods: >99.0%
2173134-00-2 / 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone
Basic Information
CAS
2173134-00-2
Multi CAS
No
Molecular Formula
C18H22N6O2
Molecular Weight
354.400000
Exact Mass
354.180424
SMILES
C1CN(CC12CCOCC2)C(=O)C3=CN=C(N=C3)NCC4=NC=CN=C4
InChI
InChI=1S/C18H22N6O2/c25-16(24-6-1-18(13-24)2-7-26-8-3-18)14-9-21-17(22-10-14)23-12-15-11-19-4-5-20-15/h4-5,9-11H,1-3,6-8,12-13H2,(H,21,22,23)
InChIKey
VGRLXWFIXGZRMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
94.4
TPSA
93.13
LogP / Solubility
WLOGP
1.52
MLOGP
1.36
Consensus LogP
0.96
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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