![CAS 1363404-73-2 Octahydro-2H-Pyrano[3,2-C]Pyridine Hydrochloride(WX110751) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1363404-73-2.gif)
CAS RN: 1363404-73-2
Octahydro-2H-Pyrano[3,2-C]Pyridine Hydrochloride(WX110751)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251129 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1363404-73-2
- Purity/Analytical Methods: >99.0%
1363404-73-2 / 3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;hydrochloride
Basic Information
CAS
1363404-73-2
Multi CAS
No
Molecular Formula
C8H16ClNO
Molecular Weight
177.670000
Exact Mass
177.092042
SMILES
C1CC2CNCCC2OC1.Cl
InChI
InChI=1S/C8H15NO.ClH/c1-2-7-6-9-4-3-8(7)10-5-1;/h7-9H,1-6H2;1H
InChIKey
KLPGNZUIIRCLMJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.2
TPSA
21.26
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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