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CAS 504-57-4 10-Nonadecanone molecular structure lightbox
CAS RN: 504-57-4

10-Nonadecanone

  • Product code: SSC-156927
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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: ≥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 504-57-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

504-57-4 / nonadecan-10-one

Standard CAS: 504-57-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
504-57-4
Multi CAS
No
Molecular Formula
C19H38O
Molecular Weight
282.500000
Exact Mass
282.292266
InChI
InChI=1S/C19H38O/c1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKey
YUPOCHDBBHTUBJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.95
Rotatable bonds
16
H-bond acceptors
1
Molar refractivity
90.23
TPSA
17.07

LogP / Solubility

WLOGP
6.84
MLOGP
6.03
XLogP3
8.1
Consensus LogP
6.99
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.09
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.41

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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