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CAS 17969-20-9 2-[2-(4-CHLOROPHENYL)-1,3-THIAZOL-4-YL]ACETIC ACID molecular structure lightbox
CAS RN: 17969-20-9

2-[2-(4-CHLOROPHENYL)-1,3-THIAZOL-4-YL]ACETIC ACID

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260401 100mg In stock Shanghai Inquiry
Batchno.20251129 100mg / 1g Out of stock 15 business days Inquiry
Batchno.20260602 1g In stock Shanghai Inquiry
Batchno.20251224 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20250506 5g In stock Shanghai Inquiry
  • Product code: SSC-080071
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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: ≥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 17969-20-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

17969-20-9 / 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetic acid

Standard CAS: 17969-20-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17969-20-9
Multi CAS
No
Molecular Formula
C11H8ClNO2S
Molecular Weight
253.710000
Exact Mass
252.996427
SMILES
C1=CC(=CC=C1C2=NC(=CS2)CC(=O)O)Cl
InChI
InChI=1S/C11H8ClNO2S/c12-8-3-1-7(2-4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChIKey
APBSKHYXXKHJFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.9
TPSA
50.19

LogP / Solubility

WLOGP
3.09
MLOGP
2.73
XLogP3
2.7
Consensus LogP
2.84
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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