[email protected]
CAS 84632-54-2 3,6-bis(4-bromophenyl)-2,5-dihydro-Pyrrolo[3,4-c]pyrrole-1,4-dione molecular structure lightbox
CAS RN: 84632-54-2

3,6-bis(4-bromophenyl)-2,5-dihydro-Pyrrolo[3,4-c]pyrrole-1,4-dione

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250819 100mg In stock Shanghai Inquiry
Batchno.20250116 1g In stock Shanghai Inquiry
Batchno.20260405 1g Out of stock 15 business days Inquiry
Batchno.20250611 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS84632-54-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

84632-54-2 / 1,4-bis(4-bromophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one

Standard CAS: 84632-54-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84632-54-2
Multi CAS
No
Molecular Formula
C18H10BR2N2O2
Molecular Weight
446.100000
Exact Mass
445.908850
InChI
InChI=1S/C18H10Br2N2O2/c19-11-5-1-9(2-6-11)15-13-14(18(24)21-15)16(22-17(13)23)10-3-7-12(20)8-4-10/h1-8,21,24H
InChIKey
CAWRULFLTGFYSP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
99.7
TPSA
65.45

LogP / Solubility

WLOGP
4.9
MLOGP
4.34
XLogP3
4.8
Consensus LogP
4.68
Log S (ESOL)
-6.09
Class (ESOL)
Insoluble
Log S (Ali)
-6.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
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)
-1.96

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us