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CAS 1350518-27-2 2,3,6,7,10,11-hexaaminotriphenylene molecular structure lightbox
CAS RN: 1350518-27-2

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

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250524 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-042930
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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: ≥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 1350518-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1350518-27-2 / triphenylene-2,3,6,7,10,11-hexamine;hexahydrochloride

Standard CAS: 1350518-27-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1350518-27-2
Multi CAS
No
Molecular Formula
C18H24Cl6N6
Molecular Weight
537.100000
Exact Mass
536.016411
SMILES
C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1N)N)N)N)N)N.Cl.Cl.Cl.Cl.Cl.Cl
InChI
InChI=1S/C18H18N6.6ClH/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;;;;;;/h1-6H,19-24H2;6*1H
InChIKey
PUXBEKLSMBVFNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
H-bond acceptors
6
H-bond donors
6
Molar refractivity
148.92
TPSA
156.12

LogP / Solubility

WLOGP
5.17
MLOGP
4.59
XLogP3
5.17
Consensus LogP
4.98
Log S (ESOL)
-6.87
Class (ESOL)
Insoluble
Log S (Ali)
-7.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.33

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
3

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