CAS RN: 1609-07-0
N-cyano-N’-methylguanidine
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.20250830 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1609-07-0
- Purity/Analytical Methods: >99.0%
1609-07-0 / 1-cyano-2-methylguanidine
Basic Information
CAS
1609-07-0
Multi CAS
No
Molecular Formula
C3H6N4
Molecular Weight
98.110000
Exact Mass
98.059246
SMILES
CN=C(N)NC#N
InChI
InChI=1S/C3H6N4/c1-6-3(5)7-2-4/h1H3,(H3,5,6,7)
InChIKey
SIQWQBQGWREFSE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
26.3
TPSA
74.2
LogP / Solubility
WLOGP
-1
MLOGP
-0.89
XLogP3
-0.8
Consensus LogP
-0.9
Log S (ESOL)
0.18
Class (ESOL)
Highly soluble
Log S (Ali)
0.36
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.53
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.03
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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