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CAS 391211-97-5 2-(N-2”-FLURO-4”-IODOPHENYL)AMINO-3,4-DIFLUORO BENZOIC ACID molecular structure lightbox
CAS RN: 391211-97-5

2-(N-2”-FLURO-4”-IODOPHENYL)AMINO-3,4-DIFLUORO BENZOIC ACID

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250311 10g In stock Inquiry
Batchno.20260327 1g In stock Inquiry
Batchno.20260601 250mg In stock Inquiry
Batchno.20250421 50mg In stock Inquiry
Batchno.20250830 5g Out of stock Inquiry
  • Product code: SSC-146728
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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: 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 391211-97-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

391211-97-5 / 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid

Standard CAS: 391211-97-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
391211-97-5
Multi CAS
No
Molecular Formula
C13F3H7InO2
Molecular Weight
393.100000
Exact Mass
392.947360
InChI
InChI=1S/C13H7F3INO2/c14-8-3-2-7(13(19)20)12(11(8)16)18-10-4-1-6(17)5-9(10)15/h1-5,18H,(H,19,20)
InChIKey
REMYZOSCCVDLDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
75.72
TPSA
49.33

LogP / Solubility

WLOGP
4.15
MLOGP
3.68
XLogP3
4.5
Consensus LogP
4.11
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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