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CAS 96100-94-6 [5]Cycloparaphenylene molecular structure lightbox
CAS RN: 96100-94-6

[5]Cycloparaphenylene

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250818 100mg Out of stock Inquiry
Batchno.20250728 10mg Out of stock 5-7 business days Inquiry
  • Product code: ICTC2931
  • Purity/Analytical Methods: >95.0%(HPLC)
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96100-94-6 / hexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecaene

Standard CAS: 96100-94-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96100-94-6
Multi CAS
Yes
Molecular Formula
C30H20
Molecular Weight
380.500000
Exact Mass
380.156501
InChI
InChI=1S/C30H20/c1-2-22-4-3-21(1)23-5-7-25(8-6-23)27-13-15-29(16-14-27)30-19-17-28(18-20-30)26-11-9-24(22)10-12-26/h1-20H
InChIKey
CPWZIBNNYXGKBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
30
Molar refractivity
120.57
TPSA
0.0000

LogP / Solubility

WLOGP
6.43
MLOGP
5.68
XLogP3
5.9
Consensus LogP
6
Log S (ESOL)
-6.99
Class (ESOL)
Insoluble
Log S (Ali)
-7.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.47
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)
-0.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10

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