![CAS 38880-58-9 (2-Hydroxyethyl)dimethyl(3-sulfopropyl)ammonium Hydroxide Inner Salt [for Biochemical Research] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/h1399-jpgcontextbwfzdgvyfhjvb3r8mjkyodr8aw1hz2uvanblz3xozdmvadzjlzg5mza5oti4ndg5mjyvsdezotkuanbnfdy4zgvjzwu0ngi5njezymziodvkmdg5odgxm2iwogzlowuwnzezzdkwndnjndnmztq3zdy3zda5owmzzjmwodk.jpeg)
CAS RN: 38880-58-9
(2-Hydroxyethyl)dimethyl(3-sulfopropyl)ammonium Hydroxide Inner Salt [for Biochemical Research]
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-146500
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
38880-58-9 / 3-[2-hydroxyethyl(dimethyl)azaniumyl]propane-1-sulfonate
Basic Information
CAS
38880-58-9
Multi CAS
Yes
Molecular Formula
C7H17NO4S
Molecular Weight
211.280000
Exact Mass
211.087829
InChI
InChI=1S/C7H17NO4S/c1-8(2,5-6-9)4-3-7-13(10,11)12/h9H,3-7H2,1-2H3
InChIKey
CNXPCGBLGHKAIL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.11
TPSA
77.43
LogP / Solubility
WLOGP
-1.01
MLOGP
-0.89
XLogP3
-1.2
Consensus LogP
-1.03
Log S (ESOL)
-0.12
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.73
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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