CAS RN: 6634-18-0
dibutyl 2,2′-oxybisacetate
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.20250318 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6634-18-0
- Purity/Analytical Methods: >99.0%
6634-18-0 / butyl 2-(2-butoxy-2-oxoethoxy)acetate
Basic Information
CAS
6634-18-0
Multi CAS
No
Molecular Formula
C12H22O5
Molecular Weight
246.300000
Exact Mass
246.146724
InChI
InChI=1S/C12H22O5/c1-3-5-7-16-11(13)9-15-10-12(14)17-8-6-4-2/h3-10H2,1-2H3
InChIKey
GYTOWSMQXHCYNU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
10
H-bond acceptors
5
Molar refractivity
62.55
TPSA
61.83
LogP / Solubility
WLOGP
1.69
MLOGP
1.49
XLogP3
2.4
Consensus LogP
1.86
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly 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)
-3.02
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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