[email protected]
CAS 1351240-72-6 (E)-6-bromo-3-(6-bromo-2-oxoindolin-3-ylidene)indolin-2-one molecular structure lightbox
CAS RN: 1351240-72-6

(E)-6-bromo-3-(6-bromo-2-oxoindolin-3-ylidene)indolin-2-one

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250508 100mg Out of stock Inquiry
Batchno.20250430 1g Out of stock Inquiry
Batchno.20250721 250mg Out of stock Inquiry
  • Product code: starshine_CAS1351240-72-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1351240-72-6 / 6-bromo-3-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-2-one

Standard CAS: 1351240-72-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1351240-72-6
Multi CAS
No
Molecular Formula
C16H8Br2N2O2
Molecular Weight
420.050000
Exact Mass
419.893200
SMILES
C1=CC2=C(C=C1Br)NC(=C2C3=C4C=CC(=CC4=NC3=O)Br)O
InChI
InChI=1S/C16H8Br2N2O2/c17-7-1-3-9-11(5-7)19-15(21)13(9)14-10-4-2-8(18)6-12(10)20-16(14)22/h1-6,19,21H
InChIKey
FMIGDKYPJSFPDF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
90.1
TPSA
65.45

LogP / Solubility

WLOGP
2.76
MLOGP
2.45
XLogP3
3.7
Consensus LogP
2.97
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Environmental Hazard
GHS Hazard Statements
H411 (66.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H413 (33.3%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501

Customers Also Viewed

Get In Touch

Contact Us