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CAS 394729-98-7 2-Chloro-4-Methoxy-3-pyridinecarboxylic acid molecular structure lightbox
CAS RN: 394729-98-7

2-Chloro-4-Methoxy-3-pyridinecarboxylic acid

  • Product code: SSC-147121
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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: 1g, 5g, 10g, 25g
  • Available purity: ≥98%
  • 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 394729-98-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

394729-98-7 / 4-chloro-2-methoxypyridine-3-carboxylic acid

Standard CAS: 394729-98-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
394729-98-7
Multi CAS
Yes
Molecular Formula
C7H6CLNO3
Molecular Weight
187.580000
Exact Mass
187.003621
InChI
InChI=1S/C7H6ClNO3/c1-12-6-5(7(10)11)4(8)2-3-9-6/h2-3H,1H3,(H,10,11)
InChIKey
UEVADXSCNZVVQF-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
3
H-bond donors
1
Molar refractivity
42.76
TPSA
59.42

LogP / Solubility

WLOGP
1.44
MLOGP
1.27
XLogP3
1.3
Consensus LogP
1.34
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately 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)
-2.84

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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