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CAS 1276042-43-3 1,7-dihydrodibenzo[b,e][1,4]dioxino[2,3-d:7,8-d’]bis([1,2,3]triazole) molecular structure lightbox
CAS RN: 1276042-43-3

1,7-dihydrodibenzo[b,e][1,4]dioxino[2,3-d:7,8-d’]bis([1,2,3]triazole)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250207 250mg / 1g / 5g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-035106
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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 1276042-43-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1276042-43-3 / 2,12-dioxa-6,7,8,16,17,18-hexazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),3,5,8,10,13,15,18-octaene

Standard CAS: 1276042-43-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1276042-43-3
Multi CAS
No
Molecular Formula
C12H6N6O2
Molecular Weight
266.210000
Exact Mass
266.055223
SMILES
C1=C2C(=CC3=NNN=C31)OC4=CC5=NNN=C5C=C4O2
InChI
InChI=1S/C12H6N6O2/c1-5-6(14-17-13-5)2-10-9(1)19-11-3-7-8(16-18-15-7)4-12(11)20-10/h1-4H,(H,13,14,17)(H,15,16,18)
InChIKey
VEYCGCHHIAFXIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
H-bond acceptors
6
H-bond donors
2
Molar refractivity
67.93
TPSA
101.6

LogP / Solubility

WLOGP
2.13
MLOGP
1.88
XLogP3
1
Consensus LogP
1.67
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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