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CAS 1241725-89-2 Bisindoylmaleimide X molecular structure lightbox
CAS RN: 1241725-89-2

Bisindoylmaleimide X

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260324 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1241725-89-2
  • Purity/Analytical Methods: >99.0%
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1241725-89-2 / 3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-2-yl)pyrrole-2,5-dione

Standard CAS: 1241725-89-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1241725-89-2
Multi CAS
No
Molecular Formula
C26H24N4O2
Molecular Weight
424.500000
Exact Mass
424.189926
SMILES
CN1C2=CC=CC=C2C=C1C3=C(C(=O)NC3=O)C4=C5CC(CCN5C6=CC=CC=C64)CN
InChI
InChI=1S/C26H24N4O2/c1-29-18-8-4-2-6-16(18)13-20(29)23-24(26(32)28-25(23)31)22-17-7-3-5-9-19(17)30-11-10-15(14-27)12-21(22)30/h2-9,13,15H,10-12,14,27H2,1H3,(H,28,31,32)
InChIKey
IYXUSRHFOXBEAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
125.69
TPSA
82.05

LogP / Solubility

WLOGP
3.22
MLOGP
2.86
XLogP3
2.4
Consensus LogP
2.83
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
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)
-3.02

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
4.5

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