CAS RN: 725746-35-0
Benzyl 2-oxo-5,6-dihydropyridine-1(2H)-carboxylate
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.20250214 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS725746-35-0
- Purity/Analytical Methods: >99.0%
725746-35-0 / benzyl 6-oxo-2,3-dihydropyridine-1-carboxylate
Basic Information
CAS
725746-35-0
Multi CAS
No
Molecular Formula
C13H13NO3
Molecular Weight
231.250000
Exact Mass
231.089543
InChI
InChI=1S/C13H13NO3/c15-12-8-4-5-9-14(12)13(16)17-10-11-6-2-1-3-7-11/h1-4,6-8H,5,9-10H2
InChIKey
YNVGTWMULFNPCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
62.1
TPSA
46.61
LogP / Solubility
WLOGP
2.11
MLOGP
1.86
XLogP3
2
Consensus LogP
1.99
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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