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CAS 210363-27-2 tris(N-ethylethanaminato)[2-methyl-2-propanaminato(2-)]-niobium molecular structure lightbox
CAS RN: 210363-27-2

tris(N-ethylethanaminato)[2-methyl-2-propanaminato(2-)]-niobium

  • Product code: SSC-100121
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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 210363-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

210363-27-2 / tert-butyliminoniobium;tris(diethylazanide)

Standard CAS: 210363-27-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210363-27-2
Multi CAS
No
Molecular Formula
C16H39N4Nb-3
Molecular Weight
380.410000
Exact Mass
380.223850
SMILES
CC[N-]CC.CC[N-]CC.CC[N-]CC.CC(C)(C)N=[Nb]
InChI
InChI=1S/C4H9N.3C4H10N.Nb/c1-4(2,3)5;3*1-3-5-4-2;/h1-3H3;3*3-4H2,1-2H3;/q;3*-1;
InChIKey
XEMGCFWEYRQHLX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
95.5
TPSA
54.66

LogP / Solubility

WLOGP
5.72
MLOGP
5.05
XLogP3
5.72
Consensus LogP
5.5
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.98

Drug-likeness / Medicinal Chemistry

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

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