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CAS 70351-86-9 2,3,6,7,10,11-Hexakis(hexyloxy)triphenylene molecular structure lightbox
CAS RN: 70351-86-9

2,3,6,7,10,11-Hexakis(hexyloxy)triphenylene

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20260404 1g In stock Inquiry
Batchno.20250112 250mg Out of stock Inquiry
Batchno.20260627 50mg In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20260219 50mg Out of stock Inquiry
  • Product code: SSC-180156
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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 70351-86-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

70351-86-9 / 2,3,6,7,10,11-hexahexoxytriphenylene

Standard CAS: 70351-86-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70351-86-9
Multi CAS
No
Molecular Formula
C54H84O6
Molecular Weight
829.200000
Exact Mass
828.626790
InChI
InChI=1S/C54H84O6/c1-7-13-19-25-31-55-49-37-43-44(38-50(49)56-32-26-20-14-8-2)46-40-52(58-34-28-22-16-10-4)54(60-36-30-24-18-12-6)42-48(46)47-41-53(59-35-29-23-17-11-5)51(39-45(43)47)57-33-27-21-15-9-3/h37-42H,7-36H2,1-6H3
InChIKey
SQYCPYUKCAKHRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
60
Aromatic heavy atom count
18
Fraction Csp3
0.67
Rotatable bonds
36
H-bond acceptors
6
Molar refractivity
256.78
TPSA
55.38

LogP / Solubility

WLOGP
16.9
MLOGP
14.95
XLogP3
18.7
Consensus LogP
16.85
Log S (ESOL)
-13.47
Class (ESOL)
Insoluble
Log S (Ali)
-18.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-23.4
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)
4.22

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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