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CAS 72850-79-4 2-BROMO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 72850-79-4

2-BROMO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250911 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-182348
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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: 1g, 0.1g, 0.25g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 72850-79-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
0.1g >97% 2 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
5g >97% 1 In Stock Shanghai Inquiry
10g >97% 1 In Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

72850-79-4 / ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

Standard CAS: 72850-79-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72850-79-4
Multi CAS
No
Molecular Formula
BC7H5NO2Rf3S
Molecular Weight
304.090000
Exact Mass
302.917650
InChI
InChI=1S/C7H5BrF3NO2S/c1-2-14-5(13)3-4(7(9,10)11)12-6(8)15-3/h2H2,1H3
InChIKey
XPAISTXWPBHIMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
50.77
TPSA
39.19

LogP / Solubility

WLOGP
3.1
MLOGP
2.74
XLogP3
3.5
Consensus LogP
3.11
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
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)
-2.37

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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