CAS RN: 4944-60-9
1,9-NONANEDIOL DIACETATE
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.20260630 | 250g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS4944-60-9
- Purity/Analytical Methods: >99.0%
4944-60-9 / 9-acetyloxynonyl acetate
Basic Information
CAS
4944-60-9
Multi CAS
Yes
Molecular Formula
C13H24O4
Molecular Weight
244.330000
Exact Mass
244.167459
InChI
InChI=1S/C13H24O4/c1-12(14)16-10-8-6-4-3-5-7-9-11-17-13(2)15/h3-11H2,1-2H3
InChIKey
JAEVCKMMGIFOCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.85
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
65.59
TPSA
52.6
LogP / Solubility
WLOGP
2.84
MLOGP
2.51
XLogP3
3.1
Consensus LogP
2.82
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19
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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