CAS RN: 54459-71-1
1-butoxyhexane
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.20250527 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS54459-71-1
- Purity/Analytical Methods: >99.0%
54459-71-1 / 1-butoxyhexane
Basic Information
CAS
54459-71-1
Multi CAS
Yes
Molecular Formula
C10H22O
Molecular Weight
158.280000
Exact Mass
158.167065
InChI
InChI=1S/C10H22O/c1-3-5-7-8-10-11-9-6-4-2/h3-10H2,1-2H3
InChIKey
QCYFOZWGXKXDJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
49.87
TPSA
9.23
LogP / Solubility
WLOGP
3.38
MLOGP
2.97
XLogP3
3.7
Consensus LogP
3.35
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.46
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)
-1.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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