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CAS 24613-61-4 PHOSPHORIC ACID OLEYL ESTER molecular structure lightbox
CAS RN: 24613-61-4

PHOSPHORIC ACID OLEYL ESTER

  • Product code: SSC-119496
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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 24613-61-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

24613-61-4 / octadec-9-enyl dihydrogen phosphate

Standard CAS: 24613-61-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24613-61-4
Multi CAS
No
Molecular Formula
C18H37O4P
Molecular Weight
348.500000
Exact Mass
348.242947
SMILES
CCCCCCCCC=CCCCCCCCCOP(=O)(O)O
InChI
InChI=1S/C18H37O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21)
InChIKey
MEESPVWIOBCLJW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.89
Rotatable bonds
17
H-bond acceptors
2
H-bond donors
2
Molar refractivity
97.45
TPSA
66.76

LogP / Solubility

WLOGP
6.13
MLOGP
5.42
XLogP3
6.3
Consensus LogP
5.95
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.06
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)
-0.49

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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