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CAS 96129-66-7 Benzeneacetic acid, 2,5-dichloro-, methyl ester molecular structure lightbox
CAS RN: 96129-66-7

Benzeneacetic acid, 2,5-dichloro-, methyl ester

  • Product code: SSC-211903
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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, 5g, 10g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • 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 96129-66-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 2 In Stock Shenzhen Inquiry
0.25g ≥97% 2 In Stock Shanghai Inquiry
5g ≥97% 2 In Stock Beijing Inquiry
10g ≥97% 2 In Stock Shenzhen Inquiry
1g ≥97% 1 In Stock Shanghai Inquiry

96129-66-7 / methyl 2-(2,5-dichlorophenyl)acetate

Standard CAS: 96129-66-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96129-66-7
Multi CAS
No
Molecular Formula
C9H8CL2O2
Molecular Weight
219.060000
Exact Mass
217.990135
InChI
InChI=1S/C9H8Cl2O2/c1-13-9(12)5-6-4-7(10)2-3-8(6)11/h2-4H,5H2,1H3
InChIKey
VOIWSHPZFSPALW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
52.18
TPSA
26.3

LogP / Solubility

WLOGP
2.71
MLOGP
2.39
XLogP3
3
Consensus LogP
2.7
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-2.13

Drug-likeness / Medicinal Chemistry

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

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