CAS RN: 50648-53-8
N-(2-HYDROXYETHYL)-N-METHYLGUANIDINE SULFATE (2:1)
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.20260420 | 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS50648-53-8
- Purity/Analytical Methods: >99.0%
50648-53-8 / bis(1-(2-hydroxyethyl)-1-methylguanidine);sulfuric acid
Basic Information
CAS
50648-53-8
Multi CAS
Yes
Molecular Formula
C8H24N6O6S
Molecular Weight
332.380000
Exact Mass
332.147804
InChI
InChI=1S/2C4H11N3O.H2O4S/c2*1-7(2-3-8)4(5)6;1-5(2,3)4/h2*8H,2-3H2,1H3,(H3,5,6);(H2,1,2,3,4)
InChIKey
UXBBURPYFRPXAL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
8
Molar refractivity
77.44
TPSA
221.28
LogP / Solubility
WLOGP
-3.04
MLOGP
-2.66
XLogP3
-3.04
Consensus LogP
-2.91
Log S (ESOL)
0.28
Class (ESOL)
Highly soluble
Log S (Ali)
-0.09
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.23
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)
-6.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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