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CAS 187-83-7 (6)HELICENE molecular structure lightbox
CAS RN: 187-83-7

(6)HELICENE

  • Product code: SSC-086888
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 187-83-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

187-83-7 / hexahelicene

Standard CAS: 187-83-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
187-83-7
Multi CAS
No
Molecular Formula
C26H16
Molecular Weight
328.400000
Exact Mass
328.125201
SMILES
C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C=CC5=C4C6=CC=CC=C6C=C5
InChI
InChI=1S/C26H16/c1-3-7-22-17(5-1)9-11-19-13-15-21-16-14-20-12-10-18-6-2-4-8-23(18)25(20)26(21)24(19)22/h1-16H
InChIKey
UOYPNWSDSPYOSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
26
Molar refractivity
113.97
TPSA
0.0000

LogP / Solubility

WLOGP
7.45
MLOGP
6.57
XLogP3
7.9
Consensus LogP
7.31
Log S (ESOL)
-7.31
Class (ESOL)
Insoluble
Log S (Ali)
-7.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.98
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
No
Log Kp (skin permeation)
0.57

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
4

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