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CAS 638-65-3 Stearonitrile molecular structure lightbox
CAS RN: 638-65-3

Stearonitrile

  • Product code: SSC-173576
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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: 5g
  • 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 638-65-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

638-65-3 / octadecanenitrile

Standard CAS: 638-65-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
638-65-3
Multi CAS
No
Molecular Formula
C18H35N
Molecular Weight
265.500000
Exact Mass
265.276950
InChI
InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-17H2,1H3
InChIKey
RHSBIGNQEIPSCT-UHFFFAOYSA-N

Physical Properties

Melting Point
41 °C
Boiling Point
362 °C @ 760 MM HG
Density
0.8325 @ 20 °C/4 °C
Physical Description
Liquid Solid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.94
Rotatable bonds
15
H-bond acceptors
1
Molar refractivity
85.16
TPSA
23.79

LogP / Solubility

WLOGP
6.77
MLOGP
5.97
XLogP3
8
Consensus LogP
6.91
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.81
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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