CAS RN: 865193-73-3
3,7-diethyl-3,7-dimethyl-4,6-Nonanedione
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.20260409 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS865193-73-3
- Purity/Analytical Methods: >99.0%
865193-73-3 / 3,7-diethyl-3,7-dimethylnonane-4,6-dione
Basic Information
CAS
865193-73-3
Multi CAS
No
Molecular Formula
C15H28O2
Molecular Weight
240.380000
Exact Mass
240.208930
InChI
InChI=1S/C15H28O2/c1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4/h7-11H2,1-6H3
InChIKey
QCIMLTPFBSDZNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.87
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
72.01
TPSA
34.14
LogP / Solubility
WLOGP
4.17
MLOGP
3.67
XLogP3
4
Consensus LogP
3.95
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-1.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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