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CAS 1029128-50-4 Methyl 2-amino-6-methylisonicotinate molecular structure lightbox
CAS RN: 1029128-50-4

Methyl 2-amino-6-methylisonicotinate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250712 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-004252
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1029128-50-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1029128-50-4 / methyl 2-amino-6-methylpyridine-4-carboxylate

Methyl 2-amino-6-methylisonicotinate | 2-AMino-6-MethylisonicotinicacidMethylester | 2-AMINO-6-METHYLISONICOTINIC ACID METHYL ESTER

Standard CAS: 1029128-50-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1029128-50-4
Multi CAS
No
Molecular Formula
C8H10N2O2
Molecular Weight
166.180000
Exact Mass
166.074228
SMILES
CC1=CC(=CC(=N1)N)C(=O)OC
InChI
InChI=1S/C8H10N2O2/c1-5-3-6(8(11)12-2)4-7(9)10-5/h3-4H,1-2H3,(H2,9,10)
InChIKey
XXFVJWCKNWSTCY-UHFFFAOYSA-N
Synonyms
Methyl 2-amino-6-methylisonicotinate 2-AMino-6-MethylisonicotinicacidMethylester 2-AMINO-6-METHYLISONICOTINIC ACID METHYL ESTER MFCD16611578 Methyl 2-amino-6-methylpyridine-4-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.73
TPSA
65.21

LogP / Solubility

WLOGP
0.76
MLOGP
0.66
XLogP3
0.8
Consensus LogP
0.74
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-3.19

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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