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CAS 61494-55-1 2-Chloro-3-pyridineacetic acid molecular structure lightbox
CAS RN: 61494-55-1

2-Chloro-3-pyridineacetic acid

  • Product code: SSC-170399
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: ≥95%
  • 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 61494-55-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

61494-55-1 / 2-(2-chloro-3-pyridinyl)acetic acid

Standard CAS: 61494-55-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61494-55-1
Multi CAS
No
Molecular Formula
C7H6CLNO2
Molecular Weight
171.580000
Exact Mass
171.008706
InChI
InChI=1S/C7H6ClNO2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H,10,11)
InChIKey
NOASBJYTBZMVKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.59
TPSA
50.19

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
1.3
Consensus LogP
1.29
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
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)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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