CAS RN: 13585-92-7
Betahistine Impurity 3
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.20260519 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS13585-92-7
- Purity/Analytical Methods: >99.0%
13585-92-7 / N-methyl-N-(2-pyridin-2-ylethyl)hydroxylamine
Basic Information
CAS
13585-92-7
Multi CAS
No
Molecular Formula
C8H12N2O
Molecular Weight
152.190000
Exact Mass
152.094963
SMILES
CN(CCC1=CC=CC=N1)O
InChI
InChI=1S/C8H12N2O/c1-10(11)7-5-8-4-2-3-6-9-8/h2-4,6,11H,5,7H2,1H3
InChIKey
MBPNXJMABFZERT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.36
TPSA
36.36
LogP / Solubility
WLOGP
0.95
MLOGP
0.83
XLogP3
0.4
Consensus LogP
0.73
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
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)
-2.98
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
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