![CAS 57446-01-2 6-Benzyl-3,4,5,6,7,8-hexahydro-2H-pyrano[3,2-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57446-01-2.gif)
CAS RN: 57446-01-2
6-Benzyl-3,4,5,6,7,8-hexahydro-2H-pyrano[3,2-c]pyridine
- Product code: SSC-165602
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
57446-01-2 / 6-benzyl-2,3,4,5,7,8-hexahydropyrano[3,2-c]pyridine
Basic Information
CAS
57446-01-2
Multi CAS
No
Molecular Formula
C15H19NO
Molecular Weight
229.320000
Exact Mass
229.146664
InChI
InChI=1S/C15H19NO/c1-2-5-13(6-3-1)11-16-9-8-15-14(12-16)7-4-10-17-15/h1-3,5-6H,4,7-12H2
InChIKey
XWHFCXSCCBJTAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
68.55
TPSA
12.47
LogP / Solubility
WLOGP
2.96
MLOGP
2.61
XLogP3
2.1
Consensus LogP
2.56
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 57452-32-1 rac-1,2,3,6,7,11b-Hexahydro-2-[(4-oxocyclohexyl)carbonyl]-4H-pyrazino[2,1-a]isoquinolin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57452-32-1.gif)
