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CAS 822-23-1 Octadecyl Acetate molecular structure lightbox
CAS RN: 822-23-1

Octadecyl Acetate

  • Product code: SSC-190397
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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: ≥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 822-23-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

822-23-1 / octadecyl acetate

Standard CAS: 822-23-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
822-23-1
Multi CAS
Yes
Molecular Formula
C20H40O2
Molecular Weight
312.500000
Exact Mass
312.302831
InChI
InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3
InChIKey
OIZXRZCQJDXPFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.95
Rotatable bonds
17
H-bond acceptors
2
Molar refractivity
96.18
TPSA
26.3

LogP / Solubility

WLOGP
6.81
MLOGP
6.01
XLogP3
8.8
Consensus LogP
7.21
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.38
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.21

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
2.5

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