CAS RN: 5919-84-6
3-hydroxy-2,2-dimethylpropyl isobutyrate
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.20260224 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS5919-84-6
- Purity/Analytical Methods: >99.0%
5919-84-6 / (3-hydroxy-2,2-dimethylpropyl) 2-methylpropanoate
Basic Information
CAS
5919-84-6
Multi CAS
Yes
Molecular Formula
C9H18O3
Molecular Weight
174.240000
Exact Mass
174.125594
InChI
InChI=1S/C9H18O3/c1-7(2)8(11)12-6-9(3,4)5-10/h7,10H,5-6H2,1-4H3
InChIKey
HNWHVVWRJAXEEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.66
TPSA
46.53
LogP / Solubility
WLOGP
1.2
MLOGP
1.06
XLogP3
1.7
Consensus LogP
1.32
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately 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)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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