CAS RN: 1312478-49-1
(S)-ethyl 4-bromo-2-methyl-2-(methylsulfonyl)butanoate
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.20250911 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1312478-49-1
- Purity/Analytical Methods: >99.0%
1312478-49-1 / ethyl (2S)-4-bromo-2-methyl-2-methylsulfonylbutanoate
Basic Information
CAS
1312478-49-1
Multi CAS
No
Molecular Formula
C8H15BrO4S
Molecular Weight
287.170000
Exact Mass
285.987440
SMILES
CCOC(=O)[C@](C)(CCBr)S(=O)(=O)C
InChI
InChI=1S/C8H15BrO4S/c1-4-13-7(10)8(2,5-6-9)14(3,11)12/h4-6H2,1-3H3/t8-/m0/s1
InChIKey
DRDIKYRQXJWIIX-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.88
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
58.29
TPSA
60.44
LogP / Solubility
WLOGP
1.14
MLOGP
1.01
XLogP3
1.2
Consensus LogP
1.12
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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