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CAS 1881295-62-0 Benzoic acid, 5-bromo-2-fluoro-3-(trifluoromethyl)- molecular structure lightbox
CAS RN: 1881295-62-0

Benzoic acid, 5-bromo-2-fluoro-3-(trifluoromethyl)-

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260215 100mg In stock Shanghai Inquiry
Batchno.20251024 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250514 250mg In stock Shanghai Inquiry
Batchno.20250527 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-087515
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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, 10g, 25g
  • Available purity: >98%
  • 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 1881295-62-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Shenzhen Inquiry
0.25g >98% 1 In Stock Beijing Inquiry
1g >98% 1 In Stock Shanghai Inquiry
5g >98% 1 In Stock Shenzhen Inquiry
10g >98% 0 Out of Stock Hong Kong Inquiry
25g >98% 0 Out of Stock Shanghai Inquiry

1881295-62-0 / 5-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid

Standard CAS: 1881295-62-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1881295-62-0
Multi CAS
No
Molecular Formula
C8H3BrF4O2
Molecular Weight
287.010000
Exact Mass
285.925250
SMILES
C1=C(C=C(C(=C1C(=O)O)F)C(F)(F)F)Br
InChI
InChI=1S/C8H3BrF4O2/c9-3-1-4(7(14)15)6(10)5(2-3)8(11,12)13/h1-2H,(H,14,15)
InChIKey
ZVMUBRDZSCXJKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.06
TPSA
37.3

LogP / Solubility

WLOGP
3.31
MLOGP
2.92
XLogP3
3.1
Consensus LogP
3.11
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly 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)
-2.12

Drug-likeness / Medicinal Chemistry

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

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