CAS RN: 6317-46-0
1-ethyl-4-oxo-pyridine-2,6-dicarboxylic acid
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.20260401 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS6317-46-0
- Purity/Analytical Methods: >99.0%
6317-46-0 / 1-ethyl-4-oxopyridine-2,6-dicarboxylic acid
Basic Information
CAS
6317-46-0
Multi CAS
Yes
Molecular Formula
C9H9NO5
Molecular Weight
211.170000
Exact Mass
211.048072
InChI
InChI=1S/C9H9NO5/c1-2-10-6(8(12)13)3-5(11)4-7(10)9(14)15/h3-4H,2H2,1H3,(H,12,13)(H,14,15)
InChIKey
ONIIXUJJQUELCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.29
TPSA
96.6
LogP / Solubility
WLOGP
0.26
MLOGP
0.23
XLogP3
0.1
Consensus LogP
0.2
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82
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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