CAS RN: 4245-76-5
1-Methyl-3-nitroguanidine
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251017 | 100g | In stock | Shanghai, Shandong, Guangdong, Chongqing | Inquiry | |
| Batchno.20250510 | 2.5kg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260507 | 25g | In stock | Shanghai, Shandong, Guangdong | Inquiry | |
| Batchno.20260613 | 500g | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20250515 | 5g | In stock | Shanghai, Shandong, Hebei | Inquiry |
- Product code: starshine_CAS4245-76-5
- Purity/Analytical Methods: >99.0%
4245-76-5 / 2-methyl-1-nitroguanidine
Basic Information
CAS
4245-76-5
Multi CAS
Yes
Molecular Formula
C2H6N4O2
Molecular Weight
118.100000
Exact Mass
118.049075
InChI
InChI=1S/C2H6N4O2/c1-4-2(3)5-6(7)8/h1H3,(H3,3,4,5)
InChIKey
XCXKNNGWSDYMMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
27.68
TPSA
93.55
LogP / Solubility
WLOGP
-1.29
MLOGP
-1.14
XLogP3
-0.7
Consensus LogP
-1.04
Log S (ESOL)
0.31
Class (ESOL)
Highly soluble
Log S (Ali)
0.4
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.52
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)
-4.35
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
