CAS RN: 827598-29-8
tert-butyl 4-(quinazolin-4-yl)piperazine-1-carboxylate
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.20260402 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS827598-29-8
- Purity/Analytical Methods: >99.0%
827598-29-8 / tert-butyl 4-quinazolin-4-ylpiperazine-1-carboxylate
Basic Information
CAS
827598-29-8
Multi CAS
No
Molecular Formula
C17H22N4O2
Molecular Weight
314.400000
Exact Mass
314.174276
InChI
InChI=1S/C17H22N4O2/c1-17(2,3)23-16(22)21-10-8-20(9-11-21)15-13-6-4-5-7-14(13)18-12-19-15/h4-7,12H,8-11H2,1-3H3
InChIKey
FXCHRPGMDVFZBO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
89.56
TPSA
58.56
LogP / Solubility
WLOGP
2.69
MLOGP
2.38
XLogP3
2.7
Consensus LogP
2.59
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.05
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
No
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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