CAS RN: 5397-43-3
2H-PYRAN-2-CARBONITRILE, TETRAHYDRO-
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.20250607 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5397-43-3
- Purity/Analytical Methods: >99.0%
5397-43-3 / oxane-2-carbonitrile
Basic Information
CAS
5397-43-3
Multi CAS
Yes
Molecular Formula
C6H9NO
Molecular Weight
111.140000
Exact Mass
111.068414
InChI
InChI=1S/C6H9NO/c7-5-6-3-1-2-4-8-6/h6H,1-4H2
InChIKey
LNHZORZALMMUQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.83
H-bond acceptors
2
Molar refractivity
29.2
TPSA
33.02
LogP / Solubility
WLOGP
1.08
MLOGP
0.94
XLogP3
0.7
Consensus LogP
0.91
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
![CAS 5397-72-8 1-[2-(AMMONIOOXY)ETHOXY]BENZENE CHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5397-72-8.gif)
