CAS RN: 6114-18-7
ELAIDIC ACID ETHYL ESTER
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.20250323 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS6114-18-7
- Purity/Analytical Methods: >99.0%
6114-18-7 / ethyl octadec-9-enoate
Basic Information
CAS
6114-18-7
Multi CAS
Yes
Molecular Formula
C20H38O2
Molecular Weight
310.500000
Exact Mass
310.287180
InChI
InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11+
InChIKey
LVGKNOAMLMIIKO-VAWYXSNFSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.85
Rotatable bonds
16
H-bond acceptors
2
Molar refractivity
96.09
TPSA
26.3
LogP / Solubility
WLOGP
6.59
MLOGP
5.81
XLogP3
8
Consensus LogP
6.8
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.07
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)
0.06
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
Customers Also Viewed
-
-
-
-
-
-
Sodium carbonate decahydrate
- CAS RN: 6132-02-1
- Product Code: starshine_CAS6132-02-1
- Purity/Analytical method: >99.0%
