CAS RN: 5299-57-0
Vinyl 10-Undecenoate (stabilized with MEHQ)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250726 | 1ml / 5ml | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTU0057
- Purity/Analytical Methods: >92.0%(GC)
5299-57-0 / ethenyl undec-10-enoate
Basic Information
CAS
5299-57-0
Multi CAS
No
Molecular Formula
C13H22O2
Molecular Weight
210.310000
Exact Mass
210.161980
SMILES
C=CCCCCCCCCC(=O)OC=C
InChI
InChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-4H,1-2,5-12H2
InChIKey
HUGGPHJJSYXCDJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.62
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
63.42
TPSA
26.3
LogP / Solubility
WLOGP
3.98
MLOGP
3.5
XLogP3
4.7
Consensus LogP
4.06
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble
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)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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