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CAS 352525-09-8 N-(L-PHENYLALANYL)-2-AMINOACRIDONE molecular structure lightbox
CAS RN: 352525-09-8

N-(L-PHENYLALANYL)-2-AMINOACRIDONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260408 10mg / 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS352525-09-8
  • Purity/Analytical Methods: >99.0%
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352525-09-8 / 2-amino-N-(9-oxo-10H-acridin-2-yl)-3-phenylpropanamide

Standard CAS: 352525-09-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
352525-09-8
Multi CAS
Yes
Molecular Formula
C22H19N3O2
Molecular Weight
357.400000
Exact Mass
357.147727
InChI
InChI=1S/C22H19N3O2/c23-18(12-14-6-2-1-3-7-14)22(27)24-15-10-11-20-17(13-15)21(26)16-8-4-5-9-19(16)25-20/h1-11,13,18H,12,23H2,(H,24,27)(H,25,26)/t18-/m0/s1
InChIKey
WINNAKHIQUIPDH-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
20
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
108.83
TPSA
87.98

LogP / Solubility

WLOGP
3.19
MLOGP
2.83
XLogP3
3.2
Consensus LogP
3.07
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

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

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