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CAS 61678-05-5 BENZO[4,5]IMIDAZO[1,2-A][1,3,5]TRIAZIN-2-YLAMINE molecular structure lightbox
CAS RN: 61678-05-5

BENZO[4,5]IMIDAZO[1,2-A][1,3,5]TRIAZIN-2-YLAMINE

  • Product code: SSC-170614
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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: 0.1g, 0.25g, 1g, 5g
  • 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 61678-05-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

61678-05-5 / [1,3,5]triazino[1,2-a]benzimidazol-2-amine

Standard CAS: 61678-05-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61678-05-5
Multi CAS
Yes
Molecular Formula
C9H7N5
Molecular Weight
185.190000
Exact Mass
185.070145
InChI
InChI=1S/C9H7N5/c10-8-11-5-14-7-4-2-1-3-6(7)12-9(14)13-8/h1-5H,(H2,10,12,13)
InChIKey
REQUSPHPOKKVPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
13
H-bond acceptors
5
H-bond donors
1
Molar refractivity
52.7
TPSA
69.1

LogP / Solubility

WLOGP
0.86
MLOGP
0.75
XLogP3
2
Consensus LogP
1.2
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-3.24

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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