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CAS 172848-60-1 ETHYL 4-(2-NITROPHENYL)THIAZOLE-2-CARBOXYLATE molecular structure lightbox
CAS RN: 172848-60-1

ETHYL 4-(2-NITROPHENYL)THIAZOLE-2-CARBOXYLATE

  • Product code: SSC-075936
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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: >97%
  • Inventory rows with stock: 4
  • 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 172848-60-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry

172848-60-1 / ethyl 4-(2-nitrophenyl)-1,3-thiazole-2-carboxylate

Standard CAS: 172848-60-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
172848-60-1
Multi CAS
No
Molecular Formula
C12H10N2O4S
Molecular Weight
278.290000
Exact Mass
278.036128
SMILES
CCOC(=O)C1=NC(=CS1)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O4S/c1-2-18-12(15)11-13-9(7-19-11)8-5-3-4-6-10(8)14(16)17/h3-7H,2H2,1H3
InChIKey
BFBMDVYVDBQXJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
70.16
TPSA
82.33

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
3
Consensus LogP
2.82
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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