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CAS 2958-09-0 OCTADECYL PHOSPHATE molecular structure lightbox
CAS RN: 2958-09-0

OCTADECYL PHOSPHATE

  • Product code: SSC-132584
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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: 1g
  • 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 2958-09-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2958-09-0 / octadecyl dihydrogen phosphate

Standard CAS: 2958-09-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2958-09-0
Multi CAS
Yes
Molecular Formula
C18H39O4P
Molecular Weight
350.500000
Exact Mass
350.258597
InChI
InChI=1S/C18H39O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-18H2,1H3,(H2,19,20,21)
InChIKey
UHGIMQLJWRAPLT-UHFFFAOYSA-N

Physical Properties

Physical Description
Stearyl acid phosphate appears as a white waxy solid. Insoluble in water. Vapor or liquid may irritate of severely burn skin or eyes. Inhalation may irritate and seriously burn respiratory tract. Ingestion may irritate and burn mucous membranes of the gastrointestinal tract.
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
18
H-bond acceptors
2
H-bond donors
2
Molar refractivity
97.54
TPSA
66.76

LogP / Solubility

WLOGP
6.36
MLOGP
5.61
XLogP3
7.3
Consensus LogP
6.42
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.37
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
Yes
Log Kp (skin permeation)
-0.34

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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