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CAS 75394-84-2 2-(TETRAHYDRO-2H-PYRAN-2-YL)ACETONITRILE molecular structure lightbox
CAS RN: 75394-84-2

2-(TETRAHYDRO-2H-PYRAN-2-YL)ACETONITRILE

  • Product code: SSC-184843
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 75394-84-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

75394-84-2 / 2-(oxan-2-yl)acetonitrile

Standard CAS: 75394-84-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75394-84-2
Multi CAS
No
Molecular Formula
C7H11NO
Molecular Weight
125.170000
Exact Mass
125.084064
InChI
InChI=1S/C7H11NO/c8-5-4-7-3-1-2-6-9-7/h7H,1-4,6H2
InChIKey
LEIYRDQWDXPNJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
33.82
TPSA
33.02

LogP / Solubility

WLOGP
1.47
MLOGP
1.28
XLogP3
0.7
Consensus LogP
1.15
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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