CAS RN: 32635-81-7
2-Pyridineethanamine, N-methyl-N-nitroso-
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
| Batchno.20250619 |
50mg / 100mg / 250mg |
Confirm by inquiry |
Shanghai | Inquiry |
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Product code:
starshine_CAS32635-81-7
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Purity/Analytical Methods:
>99.0%
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32635-81-7 / N-methyl-N-(2-pyridin-2-ylethyl)nitrous amide
Standard CAS: 32635-81-7
Multi CAS: No
Basic Information
CAS
32635-81-7
Multi CAS
No
Molecular Formula
C8H11N3O
Molecular Weight
165.190000
Exact Mass
165.090212
InChI
InChI=1S/C8H11N3O/c1-11(10-12)7-5-8-4-2-3-6-9-8/h2-4,6H,5,7H2,1H3
InChIKey
RSPHCMYPFWSJIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
46.37
TPSA
45.56
LogP / Solubility
WLOGP
1.24
MLOGP
1.08
XLogP3
0.8
Consensus LogP
1.04
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-2.85
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
1.5