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CAS 191-68-4 Dibenzo[g,p]chrysene molecular structure lightbox
CAS RN: 191-68-4

Dibenzo[g,p]chrysene

  • Product code: SSC-089523
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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: 1g
  • Available purity: ＞97%
  • 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 191-68-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

191-68-4 / hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene

Standard CAS: 191-68-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
191-68-4
Multi CAS
No
Molecular Formula
C26H16
Molecular Weight
328.400000
Exact Mass
328.125201
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=CC=CC=C5C6=CC=CC=C64
InChI
InChI=1S/C26H16/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)26-24-16-8-4-12-20(24)19-11-3-7-15-23(19)25(21)26/h1-16H
InChIKey
GQDKQZAEQBGVBS-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
7.4
Consensus LogP
7.14
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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