CAS RN: 221377-26-0
8-(Piperazin-1-yl)quinazoline
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.20250321 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINP901172
221377-26-0 / 8-piperazin-1-ylquinazoline
Basic Information
CAS
221377-26-0
Multi CAS
No
Molecular Formula
C12H14N4
Molecular Weight
214.270000
Exact Mass
214.121846
SMILES
C1CN(CCN1)C2=CC=CC3=CN=CN=C32
InChI
InChI=1S/C12H14N4/c1-2-10-8-14-9-15-12(10)11(3-1)16-6-4-13-5-7-16/h1-3,8-9,13H,4-7H2
InChIKey
WUOMFIBXTAXXRP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.62
TPSA
41.05
LogP / Solubility
WLOGP
1.04
MLOGP
0.92
XLogP3
1
Consensus LogP
0.99
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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