CAS RN: 3519-30-0
L-ALPHAHYDROXYISOVALERIC ACID T-BUTYL ESTER
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.20250310 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS3519-30-0
- Purity/Analytical Methods: >99.0%
3519-30-0 / tert-butyl (2S)-2-hydroxy-3-methylbutanoate
Basic Information
CAS
3519-30-0
Multi CAS
Yes
Molecular Formula
C9H18O3
Molecular Weight
174.240000
Exact Mass
174.125594
InChI
InChI=1S/C9H18O3/c1-6(2)7(10)8(11)12-9(3,4)5/h6-7,10H,1-5H3/t7-/m0/s1
InChIKey
XQTIFSCLEWPKCF-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.69
TPSA
46.53
LogP / Solubility
WLOGP
1.34
MLOGP
1.18
XLogP3
1.8
Consensus LogP
1.44
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
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)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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