CAS RN: 2777-58-4
Methyl cis-6-Octadecenoate
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.20250803 | 100mg | In stock | Shanghai | Inquiry |
- Product code: ICTM2306
- Purity/Analytical Methods: >98.0%(GC)
2777-58-4 / methyl octadec-6-enoate
Basic Information
CAS
2777-58-4
Multi CAS
Yes
Molecular Formula
C19H36O2
Molecular Weight
296.500000
Exact Mass
296.271530
InChI
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h13-14H,3-12,15-18H2,1-2H3
InChIKey
QRTVDKVXAFJVRU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.84
Rotatable bonds
15
H-bond acceptors
2
Molar refractivity
91.47
TPSA
26.3
LogP / Solubility
WLOGP
6.2
MLOGP
5.46
XLogP3
7.6
Consensus LogP
6.42
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.13
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
