CAS RN: 179344-98-0
V-PYRRO/NO
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260628 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS179344-98-0
- Purity/Analytical Methods: >99.0%
179344-98-0 / (Z)-ethenoxyimino-oxido-pyrrolidin-1-ylazanium
Basic Information
CAS
179344-98-0
Multi CAS
No
Molecular Formula
C6H11N3O2
Molecular Weight
157.170000
Exact Mass
157.085127
SMILES
C=CO/N=[N+](/N1CCCC1)\[O-]
InChI
InChI=1S/C6H11N3O2/c1-2-11-7-9(10)8-5-3-4-6-8/h2H,1,3-6H2/b9-7-
InChIKey
RJWXCQACZTVGIN-CLFYSBASSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
38.14
TPSA
50.9
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
1.8
Consensus LogP
1.25
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94
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
1.5
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