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CAS 2157-39-3 5-chloroisophthalic acid molecular structure lightbox
CAS RN: 2157-39-3

5-chloroisophthalic acid

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260511 1g / 5g / 10g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251115 100g In stock Shanghai Inquiry
Batchno.20260606 10g In stock Shanghai Inquiry
Batchno.20250220 1g In stock Shanghai Inquiry
Batchno.20260204 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250617 25g In stock Shanghai, Chengdu Inquiry
Batchno.20250511 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-103380
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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: 1g, 5g, 10g, 25g, 0.25g
  • Available purity: ≥95%
  • 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 2157-39-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 3 In Stock Shanghai Inquiry
10g ≥95% 2 In Stock Shanghai Inquiry
25g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry

2157-39-3 / 5-chlorobenzene-1,3-dicarboxylic acid

Standard CAS: 2157-39-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2157-39-3
Multi CAS
No
Molecular Formula
C8H5ClO4
Molecular Weight
200.570000
Exact Mass
199.987636
SMILES
C1=C(C=C(C=C1C(=O)O)Cl)C(=O)O
InChI
InChI=1S/C8H5ClO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey
PLPFTLXIQQYOMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.37
TPSA
74.6

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.6
Consensus LogP
1.62
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately 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)
-2.71

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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