CAS RN: 80259-18-3

JP1302

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Batchno.20250919 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS80259-18-3
  • Purity/Analytical Methods: >99.0%
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80259-18-3 / N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine

Standard CAS: 80259-18-3 Multi CAS: Yes

Basic Information

CAS
80259-18-3
Multi CAS
Yes
Molecular Formula
C24H24N4
Molecular Weight
368.500000
Exact Mass
368.200097
InChI
InChI=1S/C24H24N4/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24/h2-13H,14-17H2,1H3,(H,25,26)
InChIKey
QZKGUNQLVFEEBA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
20
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
118.68
TPSA
31.4

LogP / Solubility

WLOGP
4.88
MLOGP
4.32
XLogP3
5
Consensus LogP
4.73
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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