CAS RN: 66185-71-5
4-METHYLUMBELLIFERYL LAURATE
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.20260312 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS66185-71-5
- Purity/Analytical Methods: >99.0%
66185-71-5 / (4-methyl-2-oxochromen-7-yl) dodecanoate
Basic Information
CAS
66185-71-5
Multi CAS
Yes
Molecular Formula
C22H30O4
Molecular Weight
358.500000
Exact Mass
358.214409
InChI
InChI=1S/C22H30O4/c1-3-4-5-6-7-8-9-10-11-12-21(23)25-18-13-14-19-17(2)15-22(24)26-20(19)16-18/h13-16H,3-12H2,1-2H3
InChIKey
KDECSHRKPUAALS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.55
Rotatable bonds
11
H-bond acceptors
4
Molar refractivity
104.7
TPSA
56.51
LogP / Solubility
WLOGP
5.93
MLOGP
5.24
XLogP3
7.2
Consensus LogP
6.12
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.23
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.7
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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