CAS RN: 499-04-7
ARECAIDINE BUT-2-YNYL ESTER TOSYLATE
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250210 | 10mg | Out of stock | Inquiry |
- Product code: starshine_CAS499-04-7
- Purity/Analytical Methods: >99.0%
499-04-7 / 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
Basic Information
CAS
499-04-7
Multi CAS
Yes
Molecular Formula
C7H11NO2
Molecular Weight
141.170000
Exact Mass
141.078979
InChI
InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)
InChIKey
DNJFTXKSFAMXQF-UHFFFAOYSA-N
Physical Properties
Melting Point
223 - 224 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.83
TPSA
40.54
LogP / Solubility
WLOGP
0.33
MLOGP
0.29
XLogP3
-2.3
Consensus LogP
-0.56
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very 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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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