![CAS 88992-91-0 3-[[2-(Acryloyloxy)ethyl]dimethylammonio]propane-1-sulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a3367-jpgcontextbwfzdgvyfhjvb3r8mtq5mjv8aw1hz2uvanblz3xozwivadk3lzkwody4nza4ndc1mtgvqtmznjcuanbnfdnjogzimda3mwqzntjin2u2ytyyodnhzgizotlkmgziodzkmjhimtk3odmwmda3yjhjy2ywnge3ndiwowy4ogi.jpeg)
CAS RN: 88992-91-0
3-[[2-(Acryloyloxy)ethyl]dimethylammonio]propane-1-sulfonate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250107 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: ICTA3367
- Purity/Analytical Methods: >98.0%(HPLC)(N)
88992-91-0 / 3-[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]propane-1-sulfonate
Basic Information
CAS
88992-91-0
Multi CAS
Yes
Molecular Formula
C10H19NO5S
Molecular Weight
265.330000
Exact Mass
265.098394
InChI
InChI=1S/C10H19NO5S/c1-4-10(12)16-8-7-11(2,3)6-5-9-17(13,14)15/h4H,1,5-9H2,2-3H3
InChIKey
ZQRNRKASNNVFAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.7
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
62.18
TPSA
83.5
LogP / Solubility
WLOGP
-0.27
MLOGP
-0.23
XLogP3
-0.1
Consensus LogP
-0.2
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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