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CAS 425638-73-9 2-(2-(4-Methylpiperazin-1-yl)quinazolin-4-yl)acetaMide molecular structure lightbox
CAS RN: 425638-73-9

2-(2-(4-Methylpiperazin-1-yl)quinazolin-4-yl)acetaMide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260220 1mg / 5mg / 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS425638-73-9
  • Purity/Analytical Methods: >99.0%
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425638-73-9 / 2-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide

Standard CAS: 425638-73-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
425638-73-9
Multi CAS
No
Molecular Formula
C15H19N5O
Molecular Weight
285.340000
Exact Mass
285.158960
InChI
InChI=1S/C15H19N5O/c1-19-6-8-20(9-7-19)15-17-12-5-3-2-4-11(12)13(18-15)10-14(16)21/h2-5H,6-10H2,1H3,(H2,16,21)
InChIKey
PKFAHULQLFABAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
82.15
TPSA
75.35

LogP / Solubility

WLOGP
0.41
MLOGP
0.37
XLogP3
0.7
Consensus LogP
0.49
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-4.17

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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