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CAS 78668-34-5 1,4,7,10-TETRAAZA-2,6-PYRIDINOPHANE molecular structure lightbox
CAS RN: 78668-34-5

1,4,7,10-TETRAAZA-2,6-PYRIDINOPHANE

  • Product code: SSC-188020
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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 78668-34-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

78668-34-5 / 3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene

Standard CAS: 78668-34-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78668-34-5
Multi CAS
Yes
Molecular Formula
C11H18N4
Molecular Weight
206.290000
Exact Mass
206.153147
InChI
InChI=1S/C11H18N4/c1-2-10-8-13-6-4-12-5-7-14-9-11(3-1)15-10/h1-3,12-14H,4-9H2
InChIKey
LNMUPMQUMCDOKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.55
H-bond acceptors
4
H-bond donors
3
Molar refractivity
60.52
TPSA
48.98

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.12
XLogP3
-1
Consensus LogP
-0.42
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.89
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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