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CAS 4877-80-9 2,3,6,7,10,11-Hexahydroxytriphenylene molecular structure lightbox
CAS RN: 4877-80-9

2,3,6,7,10,11-Hexahydroxytriphenylene

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250610 100g In stock Shanghai Inquiry
Batchno.20250118 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251002 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260529 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250810 500g In stock Shanghai Inquiry
Batchno.20250825 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-155395
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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: 5g
  • 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 4877-80-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

4877-80-9 / triphenylene-2,3,6,7,10,11-hexol

Standard CAS: 4877-80-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4877-80-9
Multi CAS
Yes
Molecular Formula
C18H12O6
Molecular Weight
324.300000
Exact Mass
324.063388
InChI
InChI=1S/C18H12O6/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11/h1-6,19-24H
InChIKey
QMLILIIMKSKLES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
H-bond acceptors
6
H-bond donors
6
Molar refractivity
88.95
TPSA
121.38

LogP / Solubility

WLOGP
3.38
MLOGP
2.99
XLogP3
2.7
Consensus LogP
3.02
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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