CAS RN: 81028-90-2
3-AMINO-1-PROPANESULFONIC ACID SODIUM
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260316 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Guangdong, Shandong | Inquiry |
- Product code: starshine_CAS81028-90-2
- Purity/Analytical Methods: >99.0%
81028-90-2 / sodium 3-aminopropane-1-sulfonate
Basic Information
CAS
81028-90-2
Multi CAS
Yes
Molecular Formula
C3H8NNAO3S
Molecular Weight
161.160000
Exact Mass
161.012259
InChI
InChI=1S/C3H9NO3S.Na/c4-2-1-3-8(5,6)7;/h1-4H2,(H,5,6,7);/q;+1/p-1
InChIKey
KMGJRCNLDZGSFX-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
28.24
TPSA
83.22
LogP / Solubility
WLOGP
-4.12
MLOGP
-3.63
XLogP3
-4.12
Consensus LogP
-3.96
Log S (ESOL)
1.95
Class (ESOL)
Highly soluble
Log S (Ali)
2.09
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.35
Class (SILICOS-IT)
Highly 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)
-6.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 81032-58-8
- Product Code: starshine_CAS81032-58-8
- Purity/Analytical method: >99.0%
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