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CAS 93-65-2 2-(4-Chloro-2-methylphenoxy)propanoic acid molecular structure lightbox
CAS RN: 93-65-2

2-(4-Chloro-2-methylphenoxy)propanoic acid

  • Product code: SSC-206996
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 93-65-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

93-65-2 / 2-(4-chloro-2-methylphenoxy)propanoic acid

Standard CAS: 93-65-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
93-65-2
Multi CAS
Yes
Molecular Formula
C10H11CLO3
Molecular Weight
214.640000
Exact Mass
214.039672
InChI
InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKey
WNTGYJSOUMFZEP-UHFFFAOYSA-N

Physical Properties

Melting Point
93-95 °C MP: 93-94 °C 94 °C
Density
1.28 g/cm³
Physical Description
Mecoprop appears as colorless crystals. Corrosive to metals. Used as an herbicide. Colorless to brown solid; [ICSC] Tan powder with lumps; COLOURLESS-TO-BROWN CRYSTALLINE POWDER.
Appearance
Colorless crystals Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.91
TPSA
46.53

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
3.1
Consensus LogP
2.6
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly 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)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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