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CAS 331465-73-7 Tris(isobutylaMinoethyl)aMine molecular structure lightbox
CAS RN: 331465-73-7

Tris(isobutylaMinoethyl)aMine

  • Product code: SSC-139057
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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 331465-73-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

331465-73-7 / N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine

Standard CAS: 331465-73-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
331465-73-7
Multi CAS
No
Molecular Formula
C18H42N4
Molecular Weight
314.600000
Exact Mass
314.340947
InChI
InChI=1S/C18H42N4/c1-16(2)13-19-7-10-22(11-8-20-14-17(3)4)12-9-21-15-18(5)6/h16-21H,7-15H2,1-6H3
InChIKey
MVHJOLSKIZRDEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
15
H-bond acceptors
4
H-bond donors
3
Molar refractivity
99.56
TPSA
39.33

LogP / Solubility

WLOGP
2.03
MLOGP
1.8
XLogP3
3
Consensus LogP
2.28
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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