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CAS 231278-08-3 2-AMino-4-fluoro-5-iodo-benzoic acid molecular structure lightbox
CAS RN: 231278-08-3

2-AMino-4-fluoro-5-iodo-benzoic acid

  • Product code: SSC-112615
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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, 10g, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 231278-08-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 3 In Stock Hong Kong Inquiry
1g ≥95% 3 In Stock Hong Kong Inquiry
10g -- 1 In Stock Hong Kong Inquiry
10g ≥95% 1 In Stock Shanghai Inquiry
0.1g -- 0 Out of Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g -- 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
5g -- 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

231278-08-3 / 2-amino-4-fluoro-5-iodobenzoic acid

Standard CAS: 231278-08-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
231278-08-3
Multi CAS
No
Molecular Formula
C7H5FINO2
Molecular Weight
281.020000
Exact Mass
280.934900
SMILES
C1=C(C(=CC(=C1I)F)N)C(=O)O
InChI
InChI=1S/C7H5FINO2/c8-4-2-6(10)3(7(11)12)1-5(4)9/h1-2H,10H2,(H,11,12)
InChIKey
WQFNPHMSIVIAMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.49
TPSA
63.32

LogP / Solubility

WLOGP
1.71
MLOGP
1.52
XLogP3
2.1
Consensus LogP
1.78
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22

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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