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CAS 588-32-9 3-Chlorophenoxyacetic acid molecular structure lightbox
CAS RN: 588-32-9

3-Chlorophenoxyacetic acid

  • Product code: SSC-167128
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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, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 6
  • 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 588-32-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Shanghai Inquiry
1g ≥98% 5 In Stock Shenzhen Inquiry
5g ≥98% 3 In Stock Hong Kong Inquiry
5g -- 2 In Stock Shanghai Inquiry
10g -- 2 In Stock Hong Kong Inquiry
10g ≥98% 2 In Stock Shanghai Inquiry
25g -- 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry
100g -- 0 Out of Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry

588-32-9 / 2-(3-chlorophenoxy)acetic acid

Standard CAS: 588-32-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
588-32-9
Multi CAS
No
Molecular Formula
C8H7CLO3
Molecular Weight
186.590000
Exact Mass
186.008372
InChI
InChI=1S/C8H7ClO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
XSBUXVWJQVTYLC-UHFFFAOYSA-N

Physical Properties

Melting Point
110 °C
Physical Description
Solid; [HSDB] Off-white powder
Appearance
Crystals from water
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.58
TPSA
46.53

LogP / Solubility

WLOGP
1.8
MLOGP
1.59
XLogP3
2
Consensus LogP
1.8
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.58

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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