CAS RN: 61058-39-7
N-β-Alanyl-N-methylglycine
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.20251016 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS61058-39-7
- Purity/Analytical Methods: >99.0%
61058-39-7 / 2-[3-aminopropanoyl(methyl)amino]acetic acid
Basic Information
CAS
61058-39-7
Multi CAS
No
Molecular Formula
C6H12N2O3
Molecular Weight
160.170000
Exact Mass
160.084792
InChI
InChI=1S/C6H12N2O3/c1-8(4-6(10)11)5(9)2-3-7/h2-4,7H2,1H3,(H,10,11)
InChIKey
SWULRZRJUIXGGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.94
TPSA
83.63
LogP / Solubility
WLOGP
-1.12
MLOGP
-0.99
XLogP3
-4
Consensus LogP
-2.04
Log S (ESOL)
0.14
Class (ESOL)
Highly soluble
Log S (Ali)
-0.06
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.25
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)
-4.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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