[email protected]
CAS 1415340-63-4 MI-192 molecular structure lightbox
CAS RN: 1415340-63-4

MI-192

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260422 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1415340-63-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1415340-63-4 / N-(2-aminophenyl)-4-[(4-methylidene-1-oxo-3H-isoquinolin-2-yl)methyl]benzamide

Standard CAS: 1415340-63-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1415340-63-4
Multi CAS
No
Molecular Formula
C24H21N3O2
Molecular Weight
383.400000
Exact Mass
383.163377
SMILES
C=C1CN(C(=O)C2=CC=CC=C12)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N
InChI
InChI=1S/C24H21N3O2/c1-16-14-27(24(29)20-7-3-2-6-19(16)20)15-17-10-12-18(13-11-17)23(28)26-22-9-5-4-8-21(22)25/h2-13H,1,14-15,25H2,(H,26,28)
InChIKey
GTLTXEIKQVWSRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
115.47
TPSA
75.43

LogP / Solubility

WLOGP
4.19
MLOGP
3.71
XLogP3
3
Consensus LogP
3.63
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.11
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)
-2.08

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

Customers Also Viewed

Get In Touch

Contact Us