CAS RN: 1020719-68-9
(R,S)-N-NITROSOANABASINE-D4
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.20250915 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1020719-68-9
- Purity/Analytical Methods: >99.0%
1020719-68-9 / 2,3,4,6-tetradeuterio-5-(1-nitrosopiperidin-2-yl)pyridine
5-(1-Nitroso-2-piperidinyl)pyridine-2,3,4,6-d4 | RefChem:529041 | 881-673-5
Basic Information
CAS
1020719-68-9
Multi CAS
Yes
Molecular Formula
C10H13N3O
Molecular Weight
195.250000
Exact Mass
195.130969
SMILES
[2H]C1=C(C(=C(N=C1[2H])[2H])C2CCCCN2N=O)[2H]
InChI
InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2/i3D,4D,6D,8D
InChIKey
BXYPVKMROLGXJI-AJEVBKBKSA-N
Synonyms
5-(1-Nitroso-2-piperidinyl)pyridine-2,3,4,6-d4
RefChem:529041
881-673-5
(R,S)-N-Nitrosoanabasine-d4
(R,S)-N-Nitroso Anabasine-d4
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
53.33
TPSA
45.56
LogP / Solubility
WLOGP
2.29
MLOGP
2.01
XLogP3
1.5
Consensus LogP
1.93
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-2.26
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
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501
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