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CAS 1992023-57-0 3-Bromo-2-fluoro-5-iodo-benzoic acid molecular structure lightbox
CAS RN: 1992023-57-0

3-Bromo-2-fluoro-5-iodo-benzoic acid

  • Product code: SSC-093802
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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: 0.1g, 0.25g, 1g, 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 1992023-57-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry

1992023-57-0 / 3-bromo-2-fluoro-5-iodobenzoic acid

Standard CAS: 1992023-57-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1992023-57-0
Multi CAS
No
Molecular Formula
C7H3BrFIO2
Molecular Weight
344.900000
Exact Mass
343.834520
SMILES
C1=C(C=C(C(=C1C(=O)O)F)Br)I
InChI
InChI=1S/C7H3BrFIO2/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2H,(H,11,12)
InChIKey
MQOQPSMGEAEXQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.78
TPSA
37.3

LogP / Solubility

WLOGP
2.89
MLOGP
2.56
XLogP3
2.9
Consensus LogP
2.78
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

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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