CAS RN: 2470278-90-9
N-Nitroso Rasagiline
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251026 | 25mg / 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2470278-90-9
- Purity/Analytical Methods: >99.0%
2470278-90-9 / N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-prop-2-ynylnitrous amide
Basic Information
CAS
2470278-90-9
Multi CAS
No
Molecular Formula
C12H12N2O
Molecular Weight
200.240000
Exact Mass
200.094963
SMILES
C#CCN([C@@H]1CCC2=CC=CC=C12)N=O
InChI
InChI=1S/C12H12N2O/c1-2-9-14(13-15)12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12H,7-9H2/t12-/m1/s1
InChIKey
RPWRDVPRBADQLQ-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
58.84
TPSA
32.67
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
2.2
Consensus LogP
2.17
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
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)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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