CAS RN: 2799-86-2
2-Oxo-cyclopentanecarboxylic acid benzylamide
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.20251101 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2799-86-2
- Purity/Analytical Methods: >99.0%
2799-86-2 / N-benzyl-2-oxocyclopentane-1-carboxamide
Basic Information
CAS
2799-86-2
Multi CAS
No
Molecular Formula
C13H15NO2
Molecular Weight
217.260000
Exact Mass
217.110279
InChI
InChI=1S/C13H15NO2/c15-12-8-4-7-11(12)13(16)14-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,16)
InChIKey
JAVBITZFJGUZTL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.64
TPSA
46.17
LogP / Solubility
WLOGP
1.67
MLOGP
1.47
XLogP3
2
Consensus LogP
1.71
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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