CAS RN: 53308-83-1
Nω-Monomethyl-L-arginine Acetate
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250404 | 1ml | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTM1365
- Purity/Analytical Methods: >98.0%(T)
53308-83-1 / acetic acid;(2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid
Basic Information
CAS
53308-83-1
Multi CAS
Yes
Molecular Formula
C9H20N4O4
Molecular Weight
248.280000
Exact Mass
248.148455
InChI
InChI=1S/C7H16N4O2.C2H4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13;1-2(3)4/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11);1H3,(H,3,4)/t5-;/m0./s1
InChIKey
IKPNWIGTWUZCKM-JEDNCBNOSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
5
Molar refractivity
63.7
TPSA
151.03
LogP / Solubility
WLOGP
-1.2
MLOGP
-1.05
XLogP3
-1.2
Consensus LogP
-1.15
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.88
Class (SILICOS-IT)
Very 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)
-5.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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