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CAS 1260665-41-5 2-Pyridinecarboxylic acid, 4-aMino-5-Methyl-, Methyl ester molecular structure lightbox
CAS RN: 1260665-41-5

2-Pyridinecarboxylic acid, 4-aMino-5-Methyl-, Methyl ester

  • Product code: SSC-031813
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 0.1g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1260665-41-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1260665-41-5 / methyl 4-amino-5-methylpyridine-2-carboxylate

Standard CAS: 1260665-41-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260665-41-5
Multi CAS
No
Molecular Formula
C8H10N2O2
Molecular Weight
166.180000
Exact Mass
166.074228
SMILES
CC1=CN=C(C=C1N)C(=O)OC
InChI
InChI=1S/C8H10N2O2/c1-5-4-10-7(3-6(5)9)8(11)12-2/h3-4H,1-2H3,(H2,9,10)
InChIKey
GIBDALIONVCQAL-UHFFFAOYSA-N

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
0.7
Consensus LogP
0.71
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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