CAS RN: 1609-00-3
1-METHYLBIGUANIDE SULPHATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260410 | 50mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Chongqing, Guangdong | Inquiry |
- Product code: starshine_CAS1609-00-3
- Purity/Analytical Methods: >99.0%
1609-00-3 / 1-(diaminomethylidene)-2-methylguanidine
Basic Information
CAS
1609-00-3
Multi CAS
No
Molecular Formula
C3H9N5
Molecular Weight
115.140000
Exact Mass
115.085795
SMILES
CN=C(N)N=C(N)N
InChI
InChI=1S/C3H9N5/c1-7-3(6)8-2(4)5/h1H3,(H6,4,5,6,7,8)
InChIKey
JLPWQEHTPOFCPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
3
Molar refractivity
33.36
TPSA
102.78
LogP / Solubility
WLOGP
-1.8
MLOGP
-1.59
XLogP3
-1.8
Consensus LogP
-1.73
Log S (ESOL)
0.58
Class (ESOL)
Highly soluble
Log S (Ali)
0.79
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.08
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)
-4.7
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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