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CAS 28623-46-3 Nonadecanenitrile molecular structure lightbox
CAS RN: 28623-46-3

Nonadecanenitrile

  • Product code: SSC-130103
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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: 25g
  • Available purity: ≥97%
  • 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 28623-46-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

28623-46-3 / nonadecanenitrile

Standard CAS: 28623-46-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28623-46-3
Multi CAS
Yes
Molecular Formula
C19H37N
Molecular Weight
279.500000
Exact Mass
279.292600
InChI
InChI=1S/C19H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-18H2,1H3
InChIKey
MVDGSHXQMOKTDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.95
Rotatable bonds
16
H-bond acceptors
1
Molar refractivity
89.78
TPSA
23.79

LogP / Solubility

WLOGP
7.16
MLOGP
6.31
XLogP3
8.5
Consensus LogP
7.32
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.34
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)
0.66

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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