CAS RN: 1227048-93-2
METHYL 2-AMINO-6-METHOXYPYRIDINE-3-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.20251129 | 50mg / 100mg / 250mg / 500mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1227048-93-2
- Purity/Analytical Methods: >99.0%
1227048-93-2 / methyl 2-amino-6-methoxypyridine-3-carboxylate
Basic Information
CAS
1227048-93-2
Multi CAS
No
Molecular Formula
C8H10N2O3
Molecular Weight
182.180000
Exact Mass
182.069142
SMILES
COC1=NC(=C(C=C1)C(=O)OC)N
InChI
InChI=1S/C8H10N2O3/c1-12-6-4-3-5(7(9)10-6)8(11)13-2/h3-4H,1-2H3,(H2,9,10)
InChIKey
IWCRNCDRJMTEMA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
46.54
TPSA
74.44
LogP / Solubility
WLOGP
0.46
MLOGP
0.4
XLogP3
1.2
Consensus LogP
0.69
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
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)
-3.51
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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