CAS RN: 178948-42-0
PROLI NONOATE
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250622 | 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS178948-42-0
- Purity/Analytical Methods: >99.0%
178948-42-0 / disodium;(2S)-1-[(Z)-oxido(oxidoimino)azaniumyl]pyrrolidine-2-carboxylate
Basic Information
CAS
178948-42-0
Multi CAS
No
Molecular Formula
C5H7N3Na2O4
Molecular Weight
219.110000
Exact Mass
219.023194
SMILES
C1C[C@H](N(C1)/[N+](=N/[O-])/[O-])C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C5H8N3O4.2Na/c9-5(10)4-2-1-3-7(4)8(12)6-11;;/h4H,1-3H2,(H,9,10);;/q-1;2*+1/p-1/t4-;;/m0../s1
InChIKey
SGXGLZINHNEOTH-FHNDMYTFSA-M
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
34.16
TPSA
104.86
LogP / Solubility
WLOGP
-7.42
MLOGP
-6.52
XLogP3
-7.42
Consensus LogP
-7.12
Log S (ESOL)
3.61
Class (ESOL)
Highly soluble
Log S (Ali)
4
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.83
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)
-9.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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