CAS RN: 23304-40-7
Sulfuric acid, bis(2-Methylpropyl) 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.20250802 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS23304-40-7
- Purity/Analytical Methods: >99.0%
23304-40-7 / bis(2-methylpropyl) sulfate
Basic Information
CAS
23304-40-7
Multi CAS
No
Molecular Formula
C8H18O4S
Molecular Weight
210.290000
Exact Mass
210.092580
SMILES
CC(C)COS(=O)(=O)OCC(C)C
InChI
InChI=1S/C8H18O4S/c1-7(2)5-11-13(9,10)12-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey
UXLGPJLQZVPSSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
50.5
TPSA
52.6
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
2.4
Consensus LogP
1.79
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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