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CAS 5821-51-2 Corannulene molecular structure lightbox
CAS RN: 5821-51-2

Corannulene

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250306 100mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251214 20mg In stock Shanghai Inquiry
  • Product code: ICTC2572
  • Purity/Analytical Methods: >97.0%(GC)
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5821-51-2 / hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene

Standard CAS: 5821-51-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5821-51-2
Multi CAS
No
Molecular Formula
C20H10
Molecular Weight
250.300000
Exact Mass
250.078250
InChI
InChI=1S/C20H10/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11(1)16-17(12)19(14)20(15)18(13)16/h1-10H
InChIKey
VXRUJZQPKRBJKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
20
Molar refractivity
87.53
TPSA
0.0000

LogP / Solubility

WLOGP
5.77
MLOGP
5.08
XLogP3
6
Consensus LogP
5.62
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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