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CAS 13533-08-9 oleyl methacrylate molecular structure lightbox
CAS RN: 13533-08-9

oleyl methacrylate

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250124 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS13533-08-9
  • Purity/Analytical Methods: >99.0%
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13533-08-9 / [(Z)-octadec-9-enyl] 2-methylprop-2-enoate

Standard CAS: 13533-08-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13533-08-9
Multi CAS
No
Molecular Formula
C22H40O2
Molecular Weight
336.600000
Exact Mass
336.302831
SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)C(=C)C
InChI
InChI=1S/C22H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3/h11-12H,2,4-10,13-20H2,1,3H3/b12-11-
InChIKey
BXOBFMUWVVHLFK-QXMHVHEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.77
Rotatable bonds
17
H-bond acceptors
2
Molar refractivity
105.23
TPSA
26.3

LogP / Solubility

WLOGP
7.14
MLOGP
6.3
XLogP3
9.5
Consensus LogP
7.65
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.82
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)
0.3

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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