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CAS 825-98-9 3-FLUORO-4-IODOBENZOIC ACID molecular structure lightbox
CAS RN: 825-98-9

3-FLUORO-4-IODOBENZOIC ACID

Product Availability

Choose a grade to view its available package options.

12 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250618 1g In stock Inquiry
Batchno.20260221 250mg In stock Inquiry
Batchno.20250422 25g Out of stock Inquiry
Batchno.20250730 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250324 100g In stock Shanghai Inquiry
Batchno.20251109 10g In stock Shanghai, Tianjin Inquiry
Batchno.20251113 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260425 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251016 25g In stock Shanghai Inquiry
Batchno.20260120 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 1g In stock Shanghai Inquiry
Batchno.20251001 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-190633
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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, 25g
  • Available purity: >95%
  • 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 825-98-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 0 Out of Stock Beijing Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry

825-98-9 / 3-fluoro-4-iodobenzoic acid

Standard CAS: 825-98-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
825-98-9
Multi CAS
No
Molecular Formula
C7FH4IO2
Molecular Weight
266.010000
Exact Mass
265.924010
InChI
InChI=1S/C7H4FIO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChIKey
KPMBAMKKTJSICO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.08
TPSA
37.3

LogP / Solubility

WLOGP
2.13
MLOGP
1.88
XLogP3
2.2
Consensus LogP
2.07
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.83

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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