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CAS 773136-66-6 Ethyl-2-fluoro-5-iodobenzoate molecular structure lightbox
CAS RN: 773136-66-6

Ethyl-2-fluoro-5-iodobenzoate

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250521 1g In stock Shanghai Inquiry
Batchno.20250104 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250507 5g Out of stock Inquiry
  • Product code: SSC-186836
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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 773136-66-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

773136-66-6 / ethyl 2-fluoro-5-iodobenzoate

Standard CAS: 773136-66-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
773136-66-6
Multi CAS
Yes
Molecular Formula
C9FH8IO2
Molecular Weight
294.060000
Exact Mass
293.955310
InChI
InChI=1S/C9H8FIO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3
InChIKey
GHRYAGFJSZGCAQ-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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