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CAS 23821-79-6 2-[2-(2-CHLOROPHENYL)-4-PHENYL-1,3-THIAZOL-5-YL]ACETIC ACID molecular structure lightbox
CAS RN: 23821-79-6

2-[2-(2-CHLOROPHENYL)-4-PHENYL-1,3-THIAZOL-5-YL]ACETIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251024 1g Out of stock 15 business days Inquiry
  • Product code: SSC-116073
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 23821-79-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

23821-79-6 / 2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid

Standard CAS: 23821-79-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23821-79-6
Multi CAS
No
Molecular Formula
C17H12ClNO2S
Molecular Weight
329.800000
Exact Mass
329.027728
SMILES
C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3Cl)CC(=O)O
InChI
InChI=1S/C17H12ClNO2S/c18-13-9-5-4-8-12(13)17-19-16(11-6-2-1-3-7-11)14(22-17)10-15(20)21/h1-9H,10H2,(H,20,21)
InChIKey
GJKWJSNKAHQBMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
89.34
TPSA
50.19

LogP / Solubility

WLOGP
4.76
MLOGP
4.2
XLogP3
5.2
Consensus LogP
4.72
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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