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CAS 26150-46-9 (1S,3S,5S)-CYCLOHEXANE-1,3,5-TRIAMINE molecular structure lightbox
CAS RN: 26150-46-9

(1S,3S,5S)-CYCLOHEXANE-1,3,5-TRIAMINE

  • Product code: SSC-123118
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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 26150-46-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

26150-46-9 / cyclohexane-1,3,5-triamine

Standard CAS: 26150-46-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26150-46-9
Multi CAS
No
Molecular Formula
C6H15N3
Molecular Weight
129.200000
Exact Mass
129.126597
SMILES
C1C(CC(CC1N)N)N
InChI
InChI=1S/C6H15N3/c7-4-1-5(8)3-6(9)2-4/h4-6H,1-3,7-9H2
InChIKey
UYAUGHKQCCCFDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
37.78
TPSA
78.06

LogP / Solubility

WLOGP
-0.85
MLOGP
-0.75
XLogP3
-1.6
Consensus LogP
-1.07
Log S (ESOL)
-0.11
Class (ESOL)
Very soluble
Log S (Ali)
-0.01
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.2
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.11

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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