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CAS 80384-94-7 1,3-Propanediamine, N,N,N’,N’-tetrakis(2-pyridinylmethyl)- molecular structure lightbox
CAS RN: 80384-94-7

1,3-Propanediamine, N,N,N’,N’-tetrakis(2-pyridinylmethyl)-

  • Product code: SSC-189262
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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 80384-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

80384-94-7 / N,N,N',N'-tetrakis(pyridin-2-ylmethyl)propane-1,3-diamine

Standard CAS: 80384-94-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80384-94-7
Multi CAS
No
Molecular Formula
C27H30N6
Molecular Weight
438.600000
Exact Mass
438.253195
InChI
InChI=1S/C27H30N6/c1-5-14-28-24(10-1)20-32(21-25-11-2-6-15-29-25)18-9-19-33(22-26-12-3-7-16-30-26)23-27-13-4-8-17-31-27/h1-8,10-17H,9,18-23H2
InChIKey
ZODATTHCRVWTBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.26
Rotatable bonds
12
H-bond acceptors
6
Molar refractivity
129.79
TPSA
58.04

LogP / Solubility

WLOGP
4.36
MLOGP
3.87
XLogP3
2.5
Consensus LogP
3.58
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.57
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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