CAS RN: 1596089-74-5
6-ethyl-2-methyldecan-5-one
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.20251206 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1596089-74-5
- Purity/Analytical Methods: >99.0%
1596089-74-5 / 6-ethyl-2-methyldecan-5-one
Basic Information
CAS
1596089-74-5
Multi CAS
No
Molecular Formula
C13H26O
Molecular Weight
198.340000
Exact Mass
198.198365
SMILES
CCCCC(CC)C(=O)CCC(C)C
InChI
InChI=1S/C13H26O/c1-5-7-8-12(6-2)13(14)10-9-11(3)4/h11-12H,5-10H2,1-4H3
InChIKey
YPSDDVXZMBYAQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.92
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
62.39
TPSA
17.07
LogP / Solubility
WLOGP
4.21
MLOGP
3.7
XLogP3
4.4
Consensus LogP
4.1
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
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)
-0.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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