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CAS 540-11-4 RICINOLEYL ALCOHOL molecular structure lightbox
CAS RN: 540-11-4

RICINOLEYL ALCOHOL

  • Product code: SSC-161490
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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 540-11-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

540-11-4 / octadec-9-ene-1,12-diol

Standard CAS: 540-11-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
540-11-4
Multi CAS
Yes
Molecular Formula
C18H36O2
Molecular Weight
284.500000
Exact Mass
284.271530
InChI
InChI=1S/C18H36O2/c1-2-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19/h10,13,18-20H,2-9,11-12,14-17H2,1H3
InChIKey
DKBBOWMEYUBDGN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.89
Rotatable bonds
15
H-bond acceptors
2
H-bond donors
2
Molar refractivity
87.93
TPSA
40.46

LogP / Solubility

WLOGP
4.99
MLOGP
4.4
XLogP3
5.9
Consensus LogP
5.1
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-0.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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