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CAS 269-12-5 1H-naphtho(2,3-d)triazole molecular structure lightbox
CAS RN: 269-12-5

1H-naphtho(2,3-d)triazole

  • Product code: SSC-125302
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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: 0.25g
  • 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 269-12-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

269-12-5 / 2H-benzo[f]benzotriazole

Standard CAS: 269-12-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
269-12-5
Multi CAS
No
Molecular Formula
C10H7N3
Molecular Weight
169.180000
Exact Mass
169.063997
SMILES
C1=CC2=CC3=NNN=C3C=C2C=C1
InChI
InChI=1S/C10H7N3/c1-2-4-8-6-10-9(11-13-12-10)5-7(8)3-1/h1-6H,(H,11,12,13)
InChIKey
NSFXVRRBGNORBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
13
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.39
TPSA
41.57

LogP / Solubility

WLOGP
2.11
MLOGP
1.85
XLogP3
2.3
Consensus LogP
2.09
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

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

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