CAS RN: 20839-34-3
METHYL CIS-5-EICOSENOATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251210 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS20839-34-3
- Purity/Analytical Methods: >99.0%
20839-34-3 / methyl icos-5-enoate
Basic Information
CAS
20839-34-3
Multi CAS
No
Molecular Formula
C21H40O2
Molecular Weight
324.500000
Exact Mass
324.302831
SMILES
CCCCCCCCCCCCCCC=CCCCC(=O)OC
InChI
InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h16-17H,3-15,18-20H2,1-2H3
InChIKey
DCELZGFMHKOOJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.86
Rotatable bonds
17
H-bond acceptors
2
Molar refractivity
100.7
TPSA
26.3
LogP / Solubility
WLOGP
6.98
MLOGP
6.15
XLogP3
8.7
Consensus LogP
7.28
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.6
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)
0.25
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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