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CAS 81-32-3 perylene-3,4,9,10-tetracarboxylic acid molecular structure lightbox
CAS RN: 81-32-3

perylene-3,4,9,10-tetracarboxylic acid

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250223 100g In stock Shanghai Inquiry
Batchno.20260330 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260228 25g In stock Shanghai Inquiry
Batchno.20260404 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250922 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing, Guangdong Inquiry
  • Product code: LINP887270
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81-32-3 / perylene-3,4,9,10-tetracarboxylic acid

Standard CAS: 81-32-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81-32-3
Multi CAS
No
Molecular Formula
C24H12O8
Molecular Weight
428.300000
Exact Mass
428.053217
InChI
InChI=1S/C24H12O8/c25-21(26)13-5-1-9-10-2-6-15(23(29)30)20-16(24(31)32)8-4-12(18(10)20)11-3-7-14(22(27)28)19(13)17(9)11/h1-8H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
InChIKey
FVDOBFPYBSDRKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
20
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
115.49
TPSA
149.2

LogP / Solubility

WLOGP
4.53
MLOGP
4.01
XLogP3
3.9
Consensus LogP
4.15
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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