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CAS 55954-24-0 (3,5-Dichloro-phenyl)-acetic acid methyl ester molecular structure lightbox
CAS RN: 55954-24-0

(3,5-Dichloro-phenyl)-acetic acid methyl ester

  • Product code: SSC-163894
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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: >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 55954-24-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 3 In Stock Hong Kong Inquiry
0.25g >97% 3 In Stock Hong Kong Inquiry
1g >97% 3 In Stock Shenzhen Inquiry
5g >97% 3 In Stock Shanghai Inquiry
10g >97% 2 In Stock Shanghai Inquiry

55954-24-0 / methyl 2-(3,5-dichlorophenyl)acetate

Standard CAS: 55954-24-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55954-24-0
Multi CAS
No
Molecular Formula
C9H8CL2O2
Molecular Weight
219.060000
Exact Mass
217.990135
InChI
InChI=1S/C9H8Cl2O2/c1-13-9(12)4-6-2-7(10)5-8(11)3-6/h2-3,5H,4H2,1H3
InChIKey
ZKVZUSKNUTWXHC-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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