CAS 12070-10-9 Vanadium carbide molecular structure

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CAS RN: 12070-10-9

Vanadium carbide

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Product code: starshine_CAS12070-10-9
Purity/Analytical Methods: >99.0%

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12070-10-9 / methane;vanadium

Vanadium carbide (VC) | EINECS 234-380-6 | EINECS 235-122-5

Standard CAS: 12070-10-9 Multi CAS: Yes

Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS

12070-10-9

Multi CAS

Yes

Molecular Formula

CH4V

Molecular Weight

66.984000

Exact Mass

66.975258

SMILES

C.[V]

InChI

InChI=1S/C.V/q-1;+1

InChIKey

ZLANVVMKMCTKMT-UHFFFAOYSA-N

Synonyms

Vanadium carbide (VC) EINECS 234-380-6 EINECS 235-122-5 EC 235-122-5 METHANE VANADIUM

Physical Properties

Physical Description

Pellets or Large Crystals Solid; [Hawley] Black odorless powder; Insoluble in water

State

Solid

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

Molar refractivity

6.73

TPSA

0.0000

LogP / Solubility

WLOGP

0.63

MLOGP

0.54

XLogP3

0.63

Consensus LogP

0.6

Log S (ESOL)

-0.65

Class (ESOL)

Very soluble

Log S (Ali)

-0.57

Class (Ali)

Very soluble

Log S (SILICOS-IT)

-0.62

Class (SILICOS-IT)

Very soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.68

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H302 (80.9%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (80.9%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (80.9%): Harmful if inhaled [Warning Acute toxicity, inhalation] Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Precautionary Statement Codes

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501