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CAS 72850-61-4 2-CHLORO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 72850-61-4

2-CHLORO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLIC ACID

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250823 100mg In stock Inquiry
Batchno.20260324 1g In stock Inquiry
Batchno.20260214 250mg In stock Inquiry
Batchno.20250413 25mg Out of stock Inquiry
  • Product code: SSC-182345
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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: 1g
  • Available purity: ＞97%
  • 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 72850-61-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

72850-61-4 / 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

Standard CAS: 72850-61-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72850-61-4
Multi CAS
No
Molecular Formula
C5HCLF3NO2S
Molecular Weight
231.580000
Exact Mass
230.936862
InChI
InChI=1S/C5HClF3NO2S/c6-4-10-2(5(7,8)9)1(13-4)3(11)12/h(H,11,12)
InChIKey
OGZUWSFEZCBGPH-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
39.09
TPSA
50.19

LogP / Solubility

WLOGP
2.51
MLOGP
2.22
XLogP3
2.7
Consensus LogP
2.48
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.35

Drug-likeness / Medicinal Chemistry

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

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