CAS RN: 99803-72-2
Nerbacadol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250910 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS99803-72-2
- Purity/Analytical Methods: >99.0%
99803-72-2 / (5-methyl-1,2-oxazol-4-yl)-piperidin-1-ylmethanone
Basic Information
CAS
99803-72-2
Multi CAS
No
Molecular Formula
C10H14N2O2
Molecular Weight
194.230000
Exact Mass
194.105528
InChI
InChI=1S/C10H14N2O2/c1-8-9(7-11-14-8)10(13)12-5-3-2-4-6-12/h7H,2-6H2,1H3
InChIKey
ZWNGSOLJLMBZFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
50.99
TPSA
46.34
LogP / Solubility
WLOGP
1.61
MLOGP
1.42
XLogP3
1.1
Consensus LogP
1.38
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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