CAS RN: 598-65-2
1,1-Dimethylguanidine Sulfate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251029 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20251009 | 1g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20260403 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250309 | 500g | Out of stock | Inquiry | |
| Batchno.20250815 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: ICTD1799
- Purity/Analytical Methods: >98.0%(T)
598-65-2 / bis(1,1-dimethylguanidine);sulfuric acid
Basic Information
CAS
598-65-2
Multi CAS
Yes
Molecular Formula
C6H20N6O4S
Molecular Weight
272.330000
Exact Mass
272.126674
InChI
InChI=1S/2C3H9N3.H2O4S/c2*1-6(2)3(4)5;1-5(2,3)4/h2*1-2H3,(H3,4,5);(H2,1,2,3,4)
InChIKey
QSCHFHVDZCPIKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
6
Molar refractivity
65.38
TPSA
180.82
LogP / Solubility
WLOGP
-1.77
MLOGP
-1.55
XLogP3
-1.77
Consensus LogP
-1.7
Log S (ESOL)
-0.41
Class (ESOL)
Very soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.04
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)
-5.64
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
1.5
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- CAS RN: 587-84-8
- Product Code: ICTD0875
- Purity/Analytical method: >98.0%(T)(HPLC)
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