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CAS 615-71-4 benzene-1,2,4-triyltriamine molecular structure lightbox
CAS RN: 615-71-4

benzene-1,2,4-triyltriamine

  • Product code: SSC-170429
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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 615-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

615-71-4 / benzene-1,2,4-triamine

Standard CAS: 615-71-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
615-71-4
Multi CAS
Yes
Molecular Formula
C6H9N3
Molecular Weight
123.160000
Exact Mass
123.079647
InChI
InChI=1S/C6H9N3/c7-4-1-2-5(8)6(9)3-4/h1-3H,7-9H2
InChIKey
JSYBAZQQYCNZJE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
39.68
TPSA
78.06

LogP / Solubility

WLOGP
0.43
MLOGP
0.37
Consensus LogP
0.27
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
Class (SILICOS-IT)
Very 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)
-3.16

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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