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CAS 183741-91-5 5-AMINO-2-METHOXY-ISONICOTINIC ACID molecular structure lightbox
CAS RN: 183741-91-5

5-AMINO-2-METHOXY-ISONICOTINIC ACID

  • Product code: SSC-084987
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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: 10g, 0.25g, 25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 183741-91-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 4 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

183741-91-5 / 5-amino-2-methoxypyridine-4-carboxylic acid

Standard CAS: 183741-91-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
183741-91-5
Multi CAS
No
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
SMILES
COC1=NC=C(C(=C1)C(=O)O)N
InChI
InChI=1S/C7H8N2O3/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3H,8H2,1H3,(H,10,11)
InChIKey
BFYPMZJYCXUXFW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
42.16
TPSA
85.44

LogP / Solubility

WLOGP
0.37
MLOGP
0.32
XLogP3
0.6
Consensus LogP
0.43
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
Class (SILICOS-IT)
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)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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