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CAS 24589-89-7 (4-BROMO-2-FORMYLPHENOXY)ACETIC ACID molecular structure lightbox
CAS RN: 24589-89-7

(4-BROMO-2-FORMYLPHENOXY)ACETIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250724 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-119383
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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 24589-89-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

24589-89-7 / 2-(4-bromo-2-formylphenoxy)acetic acid

Standard CAS: 24589-89-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24589-89-7
Multi CAS
No
Molecular Formula
C9H7BrO4
Molecular Weight
259.050000
Exact Mass
257.952770
SMILES
C1=CC(=C(C=C1Br)C=O)OCC(=O)O
InChI
InChI=1S/C9H7BrO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-4H,5H2,(H,12,13)
InChIKey
KXRYNWDCFUKVNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.66
TPSA
63.6

LogP / Solubility

WLOGP
1.72
MLOGP
1.53
XLogP3
1.7
Consensus LogP
1.65
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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)
-3.08

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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