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CAS 205750-82-9 ethyl 2-fluoro-4-iodobenzoate molecular structure lightbox
CAS RN: 205750-82-9

ethyl 2-fluoro-4-iodobenzoate

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250525 1g In stock Inquiry
Batchno.20250203 250mg In stock Inquiry
Batchno.20250324 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250121 100mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260308 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250211 250mg In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251008 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-096915
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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: ≥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 205750-82-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

205750-82-9 / ethyl 2-fluoro-4-iodobenzoate

Standard CAS: 205750-82-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
205750-82-9
Multi CAS
No
Molecular Formula
C9H8FIO2
Molecular Weight
294.060000
Exact Mass
293.955310
SMILES
CCOC(=O)C1=C(C=C(C=C1)I)F
InChI
InChI=1S/C9H8FIO2/c1-2-13-9(12)7-4-3-6(11)5-8(7)10/h3-5H,2H2,1H3
InChIKey
ZXUWYQWFYLDBII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
55.07
TPSA
26.3

LogP / Solubility

WLOGP
2.61
MLOGP
2.31
XLogP3
2.9
Consensus LogP
2.61
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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)
-2.66

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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