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CAS 162651-07-2 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid molecular structure lightbox
CAS RN: 162651-07-2

2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

Product Availability

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260107 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250918 100mg Out of stock Inquiry
  • Product code: SSC-070079
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 162651-07-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

162651-07-2 / 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

Standard CAS: 162651-07-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
162651-07-2
Multi CAS
No
Molecular Formula
C5HBrF3NO2S
Molecular Weight
276.030000
Exact Mass
274.886350
SMILES
C1(=C(N=C(S1)Br)C(F)(F)F)C(=O)O
InChI
InChI=1S/C5HBrF3NO2S/c6-4-10-2(5(7,8)9)1(13-4)3(11)12/h(H,11,12)
InChIKey
KDDAZSADIUMSBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.78
TPSA
50.19

LogP / Solubility

WLOGP
2.62
MLOGP
2.32
XLogP3
2.8
Consensus LogP
2.58
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly 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)
-2.54

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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