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CAS 188-94-3 DIINDENO[1,2,3-C,D-1′,2′,3′-I,M]PERYLENE molecular structure lightbox
CAS RN: 188-94-3

DIINDENO[1,2,3-C,D-1′,2′,3′-I,M]PERYLENE

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250102 100mg In stock Shanghai Inquiry
Batchno.20250722 100mg / 500mg Out of stock 8-10 business days Inquiry
Batchno.20250629 1g In stock Shanghai Inquiry
Batchno.20250131 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250331 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS188-94-3
  • Purity/Analytical Methods: >99.0%
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188-94-3 / nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27,31-hexadecaene

Standard CAS: 188-94-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
188-94-3
Multi CAS
No
Molecular Formula
C32H16
Molecular Weight
400.500000
Exact Mass
400.125201
SMILES
C1=CC=C2C(=C1)C3=C4C2=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C9=CC=CC=C98
InChI
InChI=1S/C32H16/c1-2-6-18-17(5-1)21-9-13-25-27-15-11-23-19-7-3-4-8-20(19)24-12-16-28(32(27)30(23)24)26-14-10-22(18)29(21)31(25)26/h1-16H
InChIKey
BKMIWBZIQAAZBD-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
32
Molar refractivity
136.51
TPSA
0.0000

LogP / Solubility

WLOGP
9.03
MLOGP
7.97
XLogP3
8.4
Consensus LogP
8.47
Log S (ESOL)
-8.75
Class (ESOL)
Insoluble
Log S (Ali)
-9.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.76
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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