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CAS 702641-04-1 2-Iodo-5-(trifluoromethyl)benzoic acid molecular structure lightbox
CAS RN: 702641-04-1

2-Iodo-5-(trifluoromethyl)benzoic acid

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 10g In stock Shanghai Inquiry
Batchno.20250531 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250704 250mg In stock Shanghai Inquiry
Batchno.20250626 25g In stock Shanghai Inquiry
Batchno.20260413 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-180071
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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: 0.25g, 1g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 702641-04-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 3 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

702641-04-1 / 2-iodo-5-(trifluoromethyl)benzoic acid

Standard CAS: 702641-04-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
702641-04-1
Multi CAS
No
Molecular Formula
C8F3H4IO2
Molecular Weight
316.020000
Exact Mass
315.920810
InChI
InChI=1S/C8H4F3IO2/c9-8(10,11)4-1-2-6(12)5(3-4)7(13)14/h1-3H,(H,13,14)
InChIKey
NRBYTEOMUOSDNU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.12
TPSA
37.3

LogP / Solubility

WLOGP
3.01
MLOGP
2.66
XLogP3
3
Consensus LogP
2.89
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
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)
-2.51

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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