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CAS 91085-56-2 ETHYL 3,5-DICHLOROBENZOATE molecular structure lightbox
CAS RN: 91085-56-2

ETHYL 3,5-DICHLOROBENZOATE

  • Product code: SSC-203917
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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: 5g, 10g, 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 91085-56-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
10g ≥95% 5 In Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

91085-56-2 / ethyl 3,5-dichlorobenzoate

Standard CAS: 91085-56-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91085-56-2
Multi CAS
No
Molecular Formula
C9H8CL2O2
Molecular Weight
219.060000
Exact Mass
217.990135
InChI
InChI=1S/C9H8Cl2O2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3
InChIKey
JRLNLVFPSMDPLU-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
52.42
TPSA
26.3

LogP / Solubility

WLOGP
3.17
MLOGP
2.79
XLogP3
3.4
Consensus LogP
3.12
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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)
-1.81

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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