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CAS 153203-80-6 3,5-dichloro-4-formylbenzoic acid molecular structure lightbox
CAS RN: 153203-80-6

3,5-dichloro-4-formylbenzoic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250801 1g In stock Inquiry
Batchno.20250330 250mg In stock Inquiry
Batchno.20260107 5g In stock Inquiry
  • Product code: SSC-062748
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 153203-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

153203-80-6 / 3,5-dichloro-4-formylbenzoic acid

Standard CAS: 153203-80-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153203-80-6
Multi CAS
No
Molecular Formula
C8H4Cl2O3
Molecular Weight
219.020000
Exact Mass
217.953749
SMILES
C1=C(C=C(C(=C1Cl)C=O)Cl)C(=O)O
InChI
InChI=1S/C8H4Cl2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-3H,(H,12,13)
InChIKey
KNZHVHRJCNWQKI-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
1
Molar refractivity
48.81
TPSA
54.37

LogP / Solubility

WLOGP
2.5
MLOGP
2.21
XLogP3
2.2
Consensus LogP
2.3
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.28

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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