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CAS 5345-89-1 2,6-Dichlorocinnamic Acid molecular structure lightbox
CAS RN: 5345-89-1

2,6-Dichlorocinnamic Acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250421 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-160790
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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, 1g, 100g, 10g, 25g
  • Available purity: ≥98%
  • 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 5345-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Shanghai Inquiry
1g ≥98% 4 In Stock Beijing Inquiry
100g ≥98% 4 In Stock Shenzhen Inquiry
10g ≥98% 3 In Stock Shanghai Inquiry
25g ≥98% 2 In Stock Shanghai Inquiry

5345-89-1 / 3-(2,6-dichlorophenyl)prop-2-enoic acid

Standard CAS: 5345-89-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5345-89-1
Multi CAS
Yes
Molecular Formula
C9H6CL2O2
Molecular Weight
217.050000
Exact Mass
215.974485
InChI
InChI=1S/C9H6Cl2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)
InChIKey
OIPVGRCXMFBNAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.13
TPSA
37.3

LogP / Solubility

WLOGP
3.09
MLOGP
2.72
XLogP3
3.1
Consensus LogP
2.97
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-1.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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