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CAS 13779-92-5 NIOBIUM(V) IODIDE molecular structure lightbox
CAS RN: 13779-92-5

NIOBIUM(V) IODIDE

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3 package records2 with current stock2 grade groups
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Batchno.20250109 1g Out of stock Inquiry
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Batchno.20260618 1g In stock Shanghai, Guangdong Inquiry
Batchno.20260501 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS13779-92-5
  • Purity/Analytical Methods: >99.0%
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13779-92-5 / pentaiodoniobium

Standard CAS: 13779-92-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13779-92-5
Multi CAS
No
Molecular Formula
I5Nb
Molecular Weight
727.428700
Exact Mass
727.428700
SMILES
[Nb](I)(I)(I)(I)I
InChI
InChI=1S/5HI.Nb/h5*1H;/q;;;;;+5/p-5
InChIKey
FWIYBTVHGYLSAZ-UHFFFAOYSA-I

Computed Properties

Structural Parameters

Heavy atom count
6
Molar refractivity
70.1
TPSA
0.0000

LogP / Solubility

WLOGP
4.43
MLOGP
3.96
XLogP3
4.43
Consensus LogP
4.27
Log S (ESOL)
-7.14
Class (ESOL)
Insoluble
Log S (Ali)
-8.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.01

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (90.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

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