[email protected]
CAS 683775-59-9 2-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-3-(1H-INDOL-3-YL)MALEIMIDE, HCL molecular structure lightbox
CAS RN: 683775-59-9

2-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-3-(1H-INDOL-3-YL)MALEIMIDE, HCL

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250804 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS683775-59-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

683775-59-9 / 3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride

Standard CAS: 683775-59-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
683775-59-9
Multi CAS
Yes
Molecular Formula
C23H21CLN4O2
Molecular Weight
420.900000
Exact Mass
420.135304
InChI
InChI=1S/C23H20N4O2.ClH/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18;/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29);1H
InChIKey
NXIKRXJEVAWDAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
121.12
TPSA
92.91

LogP / Solubility

WLOGP
3.46
MLOGP
3.07
XLogP3
3.46
Consensus LogP
3.33
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
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)
-2.83

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

Customers Also Viewed

Get In Touch

Contact Us