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CAS 88949-34-2 3,6-di(furan-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione molecular structure lightbox
CAS RN: 88949-34-2

3,6-di(furan-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250727 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS88949-34-2
  • Purity/Analytical Methods: >99.0%
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88949-34-2 / 1,4-bis(furan-2-yl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one

Standard CAS: 88949-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88949-34-2
Multi CAS
No
Molecular Formula
C14H8N2O4
Molecular Weight
268.220000
Exact Mass
268.048407
InChI
InChI=1S/C14H8N2O4/c17-13-9-10(12(16-13)8-4-2-6-20-8)14(18)15-11(9)7-3-1-5-19-7/h1-6,15,18H
InChIKey
IJIRODYRIBCKOV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.84
TPSA
91.73

LogP / Solubility

WLOGP
2.56
MLOGP
2.26
XLogP3
1.9
Consensus LogP
2.24
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly 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
No
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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