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CAS 1425-58-7 [1,2]Azaborino[1,2-a][1,2]azaborine molecular structure lightbox
CAS RN: 1425-58-7

[1,2]Azaborino[1,2-a][1,2]azaborine

  • Product code: SSC-053309
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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 1425-58-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1425-58-7 / azaborinino[1,2-a]azaborinine

Standard CAS: 1425-58-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1425-58-7
Multi CAS
No
Molecular Formula
C8H8BN
Molecular Weight
128.970000
Exact Mass
129.074979
SMILES
B12C=CC=CN1C=CC=C2
InChI
InChI=1S/C8H8BN/c1-3-7-10-8-4-2-6-9(10)5-1/h1-8H
InChIKey
GSVAFVMURLKGLG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
H-bond acceptors
1
Molar refractivity
44.15
TPSA
3.24

LogP / Solubility

WLOGP
1.53
MLOGP
1.33
XLogP3
1.53
Consensus LogP
1.46
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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