[email protected]
CAS 31663-69-1 2,6-Bis(3-hydroxyphenyl)-1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydrobenzo[1,2-c:4,5-c’]dipyrrole molecular structure lightbox
CAS RN: 31663-69-1

2,6-Bis(3-hydroxyphenyl)-1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydrobenzo[1,2-c:4,5-c’]dipyrrole

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251001 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS31663-69-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

31663-69-1 / 2,6-bis(3-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Standard CAS: 31663-69-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31663-69-1
Multi CAS
No
Molecular Formula
C22H12N2O6
Molecular Weight
400.300000
Exact Mass
400.069536
InChI
InChI=1S/C22H12N2O6/c25-13-5-1-3-11(7-13)23-19(27)15-9-17-18(10-16(15)20(23)28)22(30)24(21(17)29)12-4-2-6-14(26)8-12/h1-10,25-26H
InChIKey
MXQCWTDIPQPHPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
24
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
2
Molar refractivity
110.89
TPSA
118.6

LogP / Solubility

WLOGP
1.3
MLOGP
1.17
XLogP3
2.3
Consensus LogP
1.59
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us