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CAS 885532-41-2 4-BROMO-2,5-DICHLOROBENZOIC ACID molecular structure lightbox
CAS RN: 885532-41-2

4-BROMO-2,5-DICHLOROBENZOIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250315 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-199646
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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: 5g
  • 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 885532-41-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

885532-41-2 / 4-bromo-2,5-dichlorobenzoic acid

Standard CAS: 885532-41-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885532-41-2
Multi CAS
No
Molecular Formula
C7H3BRCL2O2
Molecular Weight
269.900000
Exact Mass
267.869350
InChI
InChI=1S/C7H3BrCl2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)
InChIKey
DVJHKDHDHAPDPH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.12
TPSA
37.3

LogP / Solubility

WLOGP
3.45
MLOGP
3.05
XLogP3
3.4
Consensus LogP
3.3
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly 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)
-1.91

Drug-likeness / Medicinal Chemistry

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

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