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CAS 26958-67-8 3,4-Dihydro-4-phenyl-1,3,5-triazino[1,2-a]benzimidazol-2-amine molecular structure lightbox
CAS RN: 26958-67-8

3,4-Dihydro-4-phenyl-1,3,5-triazino[1,2-a]benzimidazol-2-amine

  • Product code: SSC-125445
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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: 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 26958-67-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

26958-67-8 / 4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

Standard CAS: 26958-67-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26958-67-8
Multi CAS
No
Molecular Formula
C15H13N5
Molecular Weight
263.300000
Exact Mass
263.117095
SMILES
C1=CC=C(C=C1)C2N=C(NC3=NC4=CC=CC=C4N23)N
InChI
InChI=1S/C15H13N5/c16-14-18-13(10-6-2-1-3-7-10)20-12-9-5-4-8-11(12)17-15(20)19-14/h1-9,13H,(H3,16,17,18,19)
InChIKey
INKZIWWVJYBNOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
79.56
TPSA
68.23

LogP / Solubility

WLOGP
2.32
MLOGP
2.05
XLogP3
2
Consensus LogP
2.12
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

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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