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CAS 1185155-89-8 Ethyl 2-(2,4-dichlorophenyl)thiazole-4-carboxylate molecular structure lightbox
CAS RN: 1185155-89-8

Ethyl 2-(2,4-dichlorophenyl)thiazole-4-carboxylate

  • Product code: SSC-018327
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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 1185155-89-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1185155-89-8 / ethyl 2-(2,4-dichlorophenyl)-1,3-thiazole-4-carboxylate

ethyl 2-(2,4-dichlorophenyl)-1,3-thiazole-4-carboxylate | DTXSID90674294 | RefChem:342352

Standard CAS: 1185155-89-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185155-89-8
Multi CAS
No
Molecular Formula
C12H9Cl2NO2S
Molecular Weight
302.200000
Exact Mass
300.973105
SMILES
CCOC(=O)C1=CSC(=N1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H9Cl2NO2S/c1-2-17-12(16)10-6-18-11(15-10)8-4-3-7(13)5-9(8)14/h3-6H,2H2,1H3
InChIKey
XJSLIJXHNXGMOL-UHFFFAOYSA-N
Synonyms
ethyl 2-(2,4-dichlorophenyl)-1,3-thiazole-4-carboxylate DTXSID90674294 RefChem:342352 DTXCID30625043 Ethyl 2-(2,4-dichlorophenyl)thiazole-4-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
73.53
TPSA
39.19

LogP / Solubility

WLOGP
4.29
MLOGP
3.79
XLogP3
4.4
Consensus LogP
4.16
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble

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)
-1.51

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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