CAS RN: 20443-03-2
Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate
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.20250822 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS20443-03-2
- Purity/Analytical Methods: >99.0%
20443-03-2 / dimethyl 4-oxo-1H-pyridine-2,6-dicarboxylate
Basic Information
CAS
20443-03-2
Multi CAS
No
Molecular Formula
C9H9NO5
Molecular Weight
211.170000
Exact Mass
211.048072
SMILES
COC(=O)C1=CC(=O)C=C(N1)C(=O)OC
InChI
InChI=1S/C9H9NO5/c1-14-8(12)6-3-5(11)4-7(10-6)9(13)15-2/h3-4H,1-2H3,(H,10,11)
InChIKey
FERASHUCDLDGHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
49.74
TPSA
85.46
LogP / Solubility
WLOGP
-0.05
MLOGP
-0.04
XLogP3
0.3
Consensus LogP
0.07
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-4.05
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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