CAS RN: 2226366-36-3
Methy1 1-amino-3-(benzyloxy)-4-oxo-1,4-dihydropyridine-2-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250625 | 5mg / 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2226366-36-3
- Purity/Analytical Methods: >99.0%
2226366-36-3 / methyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate
Basic Information
CAS
2226366-36-3
Multi CAS
No
Molecular Formula
C14H14N2O4
Molecular Weight
274.270000
Exact Mass
274.095357
SMILES
COC(=O)C1=C(C(=O)C=CN1N)OCC2=CC=CC=C2
InChI
InChI=1S/C14H14N2O4/c1-19-14(18)12-13(11(17)7-8-16(12)15)20-9-10-5-3-2-4-6-10/h2-8H,9,15H2,1H3
InChIKey
OKOWSFKYCDWPOY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
72.97
TPSA
83.55
LogP / Solubility
WLOGP
0.93
MLOGP
0.83
XLogP3
1.8
Consensus LogP
1.19
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately 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)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 2226371-98-6 (S)-N-[1-(Dimethylamino)-3-phenyl-2-propyl]acetamide molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(S)-N-[1-(Dimethylamino)-3-phenyl-2-propyl]acetamide
- CAS RN: 2226371-98-6
- Product Code: SSC-107318
-
2-Bromo-4,8-bis((2-octyldodecyl)oxy)benzo[1,2-b:4,5-b’]dithiophene
- CAS RN: 2226388-08-3
- Product Code: starshine_CAS2226388-08-3
- Purity/Analytical method: >99.0%
-
-
5-([2,2′:6′,2”-terpyridin]-4′-yl)isophthalic acid
- CAS RN: 2226465-62-7
- Product Code: starshine_CAS2226465-62-7
- Purity/Analytical method: >99.0%
-
BDP 9066)
- CAS RN: 2226507-04-4
- Product Code: starshine_CAS2226507-04-4
- Purity/Analytical method: >99.0%
-
SGC-GAK-1
- CAS RN: 2226517-76-4
- Product Code: starshine_CAS2226517-76-4
- Purity/Analytical method: >99.0%
![CAS 2226371-98-6 (S)-N-[1-(Dimethylamino)-3-phenyl-2-propyl]acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2226371-98-6.gif)
![CAS 2226388-08-3 2-Bromo-4,8-bis((2-octyldodecyl)oxy)benzo[1,2-b:4,5-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2226388-08-3.gif)
![CAS 2226465-62-7 5-([2,2′:6′,2”-terpyridin]-4′-yl)isophthalic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2226465-62-7.gif)
