CAS RN: 2165689-24-5
(S)-N-(tetrahydro-2H-pyran-3-yl)benzamide
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.20251014 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2165689-24-5
- Purity/Analytical Methods: >99.0%
2165689-24-5 / N-[(3S)-oxan-3-yl]benzamide
Basic Information
CAS
2165689-24-5
Multi CAS
No
Molecular Formula
C12H15NO2
Molecular Weight
205.250000
Exact Mass
205.110279
SMILES
C1C[C@@H](COC1)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO2/c14-12(10-5-2-1-3-6-10)13-11-7-4-8-15-9-11/h1-3,5-6,11H,4,7-9H2,(H,13,14)/t11-/m0/s1
InChIKey
KSTOAACFCMVXAY-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.75
TPSA
38.33
LogP / Solubility
WLOGP
1.6
MLOGP
1.4
XLogP3
1.6
Consensus LogP
1.53
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately 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)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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