CAS RN: 77291-89-5
7,9-Pentadecanedione
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.20251223 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS77291-89-5
- Purity/Analytical Methods: >99.0%
77291-89-5 / pentadecane-7,9-dione
Basic Information
CAS
77291-89-5
Multi CAS
No
Molecular Formula
C15H28O2
Molecular Weight
240.380000
Exact Mass
240.208930
InChI
InChI=1S/C15H28O2/c1-3-5-7-9-11-14(16)13-15(17)12-10-8-6-4-2/h3-13H2,1-2H3
InChIKey
OTSFAPUOIOQRCE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.87
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
72.15
TPSA
34.14
LogP / Solubility
WLOGP
4.46
MLOGP
3.93
XLogP3
4.7
Consensus LogP
4.36
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.36
Class (SILICOS-IT)
Insoluble
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)
-1.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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