CAS RN: 1842-70-2
METHYL 10-OXOOCTADECANOATE
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.20260413 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1842-70-2
- Purity/Analytical Methods: >99.0%
1842-70-2 / methyl 9-oxooctadecanoate
Basic Information
CAS
1842-70-2
Multi CAS
No
Molecular Formula
C19H36O3
Molecular Weight
312.500000
Exact Mass
312.266445
SMILES
CCCCCCCCCC(=O)CCCCCCCC(=O)OC
InChI
InChI=1S/C19H36O3/c1-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19(21)22-2/h3-17H2,1-2H3
InChIKey
NNUFZSSGONRIJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.89
Rotatable bonds
16
H-bond acceptors
3
Molar refractivity
91.95
TPSA
43.37
LogP / Solubility
WLOGP
5.6
MLOGP
4.94
XLogP3
6.1
Consensus LogP
5.55
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-0.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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