CAS RN: 6064-42-2
7-HEPTADECANONE
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.20250718 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS6064-42-2
- Purity/Analytical Methods: >99.0%
6064-42-2 / heptadecan-7-one
Basic Information
CAS
6064-42-2
Multi CAS
Yes
Molecular Formula
C17H34O
Molecular Weight
254.500000
Exact Mass
254.260966
InChI
InChI=1S/C17H34O/c1-3-5-7-9-10-11-12-14-16-17(18)15-13-8-6-4-2/h3-16H2,1-2H3
InChIKey
NFRKSAMCQGIGRC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.94
Rotatable bonds
14
H-bond acceptors
1
Molar refractivity
80.99
TPSA
17.07
LogP / Solubility
WLOGP
6.06
MLOGP
5.34
XLogP3
7
Consensus LogP
6.13
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.02
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)
0.03
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
1.5
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