CAS RN: 5854-93-3
Alanosine
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.20260328 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS5854-93-3
- Purity/Analytical Methods: >99.0%
5854-93-3 / (2S)-2-azaniumyl-3-[hydroxy(nitroso)amino]propanoate
Basic Information
CAS
5854-93-3
Multi CAS
Yes
Molecular Formula
C3H7N3O4
Molecular Weight
149.110000
Exact Mass
149.043656
InChI
InChI=1S/C3H7N3O4/c4-2(3(7)8)1-6(10)5-9/h2,10H,1,4H2,(H,7,8)/t2-/m0/s1
InChIKey
MLFKVJCWGUZWNV-REOHCLBHSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
25.97
TPSA
120.67
LogP / Solubility
WLOGP
-3.28
MLOGP
-2.89
XLogP3
-3.2
Consensus LogP
-3.12
Log S (ESOL)
1.57
Class (ESOL)
Highly soluble
Log S (Ali)
1.59
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.61
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)
-5.96
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
2
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