CAS RN: 16825-16-4
(+)-Phytone
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.20260611 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS16825-16-4
- Purity/Analytical Methods: >99.0%
16825-16-4 / (6R,10R)-6,10,14-trimethylpentadecan-2-one
Basic Information
CAS
16825-16-4
Multi CAS
No
Molecular Formula
C18H36O
Molecular Weight
268.500000
Exact Mass
268.276616
SMILES
C[C@@H](CCC[C@@H](C)CCCC(=O)C)CCCC(C)C
InChI
InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3/t16-,17-/m1/s1
InChIKey
WHWDWIHXSPCOKZ-IAGOWNOFSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.94
Rotatable bonds
12
H-bond acceptors
1
Molar refractivity
85.4
TPSA
17.07
LogP / Solubility
WLOGP
6.01
MLOGP
5.3
XLogP3
6.9
Consensus LogP
6.07
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.84
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)
-0.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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