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CAS 70351-87-0 2,3,6,7,10,11-Hexakis[(n-octyl)oxy]triphenylene molecular structure lightbox
CAS RN: 70351-87-0

2,3,6,7,10,11-Hexakis[(n-octyl)oxy]triphenylene

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250206 1g Out of stock Inquiry
Batchno.20250511 250mg Out of stock Inquiry
  • Product code: SSC-180157
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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: ≥98%
  • 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 70351-87-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

70351-87-0 / 2,3,6,7,10,11-hexaoctoxytriphenylene

Standard CAS: 70351-87-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70351-87-0
Multi CAS
No
Molecular Formula
C66H108O6
Molecular Weight
997.600000
Exact Mass
996.814591
InChI
InChI=1S/C66H108O6/c1-7-13-19-25-31-37-43-67-61-49-55-56(50-62(61)68-44-38-32-26-20-14-8-2)58-52-64(70-46-40-34-28-22-16-10-4)66(72-48-42-36-30-24-18-12-6)54-60(58)59-53-65(71-47-41-35-29-23-17-11-5)63(51-57(55)59)69-45-39-33-27-21-15-9-3/h49-54H,7-48H2,1-6H3
InChIKey
IUFDADHEWRYRSP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
72
Aromatic heavy atom count
18
Fraction Csp3
0.73
Rotatable bonds
48
H-bond acceptors
6
Molar refractivity
312.19
TPSA
55.38

LogP / Solubility

WLOGP
21.58
MLOGP
19.09
XLogP3
25.2
Consensus LogP
21.96
Log S (ESOL)
-16.64
Class (ESOL)
Insoluble
Log S (Ali)
-23.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-29.82
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
6.52

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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