CAS RN: 62625-25-6
BUTYL ETHYL HEXYL ETHER
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.20250813 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS62625-25-6
- Purity/Analytical Methods: >99.0%
62625-25-6 / 3-(butoxymethyl)heptane
Basic Information
CAS
62625-25-6
Multi CAS
Yes
Molecular Formula
C12H26O
Molecular Weight
186.330000
Exact Mass
186.198365
InChI
InChI=1S/C12H26O/c1-4-7-9-12(6-3)11-13-10-8-5-2/h12H,4-11H2,1-3H3
InChIKey
XIUZCZSOJYCCTG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
59.03
TPSA
9.23
LogP / Solubility
WLOGP
4.02
MLOGP
3.54
XLogP3
4.5
Consensus LogP
4.02
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.29
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
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
2
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