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CAS 325738-83-8 4,4-Dimethyl-3,4-dihydrobenzo[4,5]imidazo[1,2-a][1,3,5]triazin-2-amine molecular structure lightbox
CAS RN: 325738-83-8

4,4-Dimethyl-3,4-dihydrobenzo[4,5]imidazo[1,2-a][1,3,5]triazin-2-amine

  • Product code: SSC-138185
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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 325738-83-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

325738-83-8 / 4,4-dimethyl-1H-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

Standard CAS: 325738-83-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
325738-83-8
Multi CAS
No
Molecular Formula
C11H13N5
Molecular Weight
215.250000
Exact Mass
215.117095
InChI
InChI=1S/C11H13N5/c1-11(2)15-9(12)14-10-13-7-5-3-4-6-8(7)16(10)11/h3-6H,1-2H3,(H3,12,13,14,15)
InChIKey
ABIIVUMODLTBTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.27
H-bond acceptors
5
H-bond donors
2
Molar refractivity
64.3
TPSA
68.23

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
0.8
Consensus LogP
1.19
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-2.99

Drug-likeness / Medicinal Chemistry

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

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