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CAS 885279-68-5 methyl 4-(3-nitrophenyl)thiazole-2-carboxylate molecular structure lightbox
CAS RN: 885279-68-5

methyl 4-(3-nitrophenyl)thiazole-2-carboxylate

  • Product code: SSC-199425
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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: 1g, 5g, 0.1g, 0.25g
  • Available purity: ≥95%
  • 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 885279-68-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 4 In Stock Beijing Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry

885279-68-5 / methyl 4-(3-nitrophenyl)-1,3-thiazole-2-carboxylate

Standard CAS: 885279-68-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885279-68-5
Multi CAS
No
Molecular Formula
C11H8N2O4S
Molecular Weight
264.260000
Exact Mass
264.020478
InChI
InChI=1S/C11H8N2O4S/c1-17-11(14)10-12-9(6-18-10)7-3-2-4-8(5-7)13(15)16/h2-6H,1H3
InChIKey
PONINADZEJJIPE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
65.54
TPSA
82.33

LogP / Solubility

WLOGP
2.5
MLOGP
2.21
XLogP3
2.6
Consensus LogP
2.44
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly 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)
-2.55

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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