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CAS 1202897-48-0 Methyl 5-fluoro-2-iodobenzoate molecular structure lightbox
CAS RN: 1202897-48-0

Methyl 5-fluoro-2-iodobenzoate

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260118 100g In stock Shanghai Inquiry
Batchno.20250227 10g In stock Shanghai, Chengdu Inquiry
Batchno.20250307 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250411 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250925 25g In stock Shanghai, Chengdu Inquiry
Batchno.20250427 500g In stock Shanghai Inquiry
Batchno.20260422 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-021164
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 5g, 10g, 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1202897-48-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

1202897-48-0 / methyl 5-fluoro-2-iodobenzoate

methyl 2-fluoro-6-iodobenzoate | Benzoic acid, 2-fluoro-6-iodo-, methyl ester | 2-fluoro-6-iodobenzoic acid methyl ester

Standard CAS: 1202897-48-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1202897-48-0
Multi CAS
Yes
Molecular Formula
C8H6FIO2
Molecular Weight
280.030000
Exact Mass
279.939660
SMILES
COC(=O)C1=C(C=CC(=C1)F)I
InChI
InChI=1S/C8H6FIO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChIKey
BRUNIDAHRLZQOH-UHFFFAOYSA-N
Synonyms
methyl 2-fluoro-6-iodobenzoate Benzoic acid, 2-fluoro-6-iodo-, methyl ester 2-fluoro-6-iodobenzoic acid methyl ester Methyl2-fluoro-6-iodobenzoate MFCD12025052

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.46
TPSA
26.3

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
2.8
Consensus LogP
2.33
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-2.85

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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