CAS RN: 19892-92-3
tert-Butyl (R)-2-hydroxy-4-methylpentanoate
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260106 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS19892-92-3
- Purity/Analytical Methods: >99.0%
19892-92-3 / tert-butyl (2R)-2-hydroxy-4-methylpentanoate
Basic Information
CAS
19892-92-3
Multi CAS
No
Molecular Formula
C10H20O3
Molecular Weight
188.260000
Exact Mass
188.141245
SMILES
CC(C)C[C@H](C(=O)OC(C)(C)C)O
InChI
InChI=1S/C10H20O3/c1-7(2)6-8(11)9(12)13-10(3,4)5/h7-8,11H,6H2,1-5H3/t8-/m1/s1
InChIKey
JXHBSPWXNWZNDR-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.31
TPSA
46.53
LogP / Solubility
WLOGP
1.74
MLOGP
1.53
XLogP3
2.2
Consensus LogP
1.82
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.64
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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