CAS RN: 59014-60-7
1,3-Dioxolane, 2-(9-bromononyl)-
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260526 | 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS59014-60-7
- Purity/Analytical Methods: >99.0%
59014-60-7 / 2-(9-bromononyl)-1,3-dioxolane
Basic Information
CAS
59014-60-7
Multi CAS
No
Molecular Formula
C12H23BRO2
Molecular Weight
279.210000
Exact Mass
278.088140
InChI
InChI=1S/C12H23BrO2/c13-9-7-5-3-1-2-4-6-8-12-14-10-11-15-12/h12H,1-11H2
InChIKey
ULTHUVRMKRYADV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
66.42
TPSA
18.46
LogP / Solubility
WLOGP
3.88
MLOGP
3.42
XLogP3
4.2
Consensus LogP
3.83
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
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)
-1.67
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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- Product Code: starshine_CAS59020-90-5
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