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CAS 1443759-42-9 methyl 4-amino-6-methoxypyridine-2-carboxylate molecular structure lightbox
CAS RN: 1443759-42-9

methyl 4-amino-6-methoxypyridine-2-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251203 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1443759-42-9
  • Purity/Analytical Methods: >99.0%
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1443759-42-9 / methyl 4-amino-6-methoxypyridine-2-carboxylate

Standard CAS: 1443759-42-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1443759-42-9
Multi CAS
No
Molecular Formula
C8H10N2O3
Molecular Weight
182.180000
Exact Mass
182.069142
SMILES
COC1=CC(=CC(=N1)C(=O)OC)N
InChI
InChI=1S/C8H10N2O3/c1-12-7-4-5(9)3-6(10-7)8(11)13-2/h3-4H,1-2H3,(H2,9,10)
InChIKey
GSXFUCFDRMXIKB-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
0.7
Consensus LogP
0.52
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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