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CAS 1583-65-9 2-fluoroisophthalic acid molecular structure lightbox
CAS RN: 1583-65-9

2-fluoroisophthalic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260518 1g In stock Inquiry
Batchno.20251228 250mg In stock Inquiry
Batchno.20250904 5g In stock Inquiry
  • Product code: SSC-066748
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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 1583-65-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1583-65-9 / 2-fluorobenzene-1,3-dicarboxylic acid

Standard CAS: 1583-65-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1583-65-9
Multi CAS
No
Molecular Formula
C8H5FO4
Molecular Weight
184.120000
Exact Mass
184.017187
SMILES
C1=CC(=C(C(=C1)C(=O)O)F)C(=O)O
InChI
InChI=1S/C8H5FO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey
DWOLBEJAJWCIGK-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
40.32
TPSA
74.6

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
1.1
Consensus LogP
1.13
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
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)
-2.98

Drug-likeness / Medicinal Chemistry

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

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