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CAS 254993-59-4 2-Chloro-4-trifluoromethylphenylboronic acid molecular structure lightbox
CAS RN: 254993-59-4

2-Chloro-4-trifluoromethylphenylboronic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250121 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-121501
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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: 10g, 25g, 1g, 5g, 100g
  • Available purity: >97%
  • 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 254993-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 3 In Stock Shenzhen Inquiry
25g >97% 3 In Stock Beijing Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 1 In Stock Shanghai Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

254993-59-4 / [4-chloro-2-(trifluoromethyl)phenyl]boronic acid

Standard CAS: 254993-59-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
254993-59-4
Multi CAS
No
Molecular Formula
C7H5BClF3O2
Molecular Weight
224.370000
Exact Mass
224.002322
SMILES
B(C1=C(C=C(C=C1)Cl)C(F)(F)F)(O)O
InChI
InChI=1S/C7H5BClF3O2/c9-6-3-4(7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H
InChIKey
JKSUCAFAUNSPLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.28
TPSA
40.46

LogP / Solubility

WLOGP
1.04
MLOGP
0.92
XLogP3
1.04
Consensus LogP
1
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately 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)
-3.35

Drug-likeness / Medicinal Chemistry

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

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