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CAS 1375064-47-3 Methyl 5-(2-Thiazolyl)isoxazole-3-carboxylate molecular structure lightbox
CAS RN: 1375064-47-3

Methyl 5-(2-Thiazolyl)isoxazole-3-carboxylate

  • Product code: SSC-047145
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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 1375064-47-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Shanghai Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 2 In Stock Shenzhen Inquiry

1375064-47-3 / methyl 5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxylate

Standard CAS: 1375064-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375064-47-3
Multi CAS
No
Molecular Formula
C8H6N2O3S
Molecular Weight
210.210000
Exact Mass
210.009913
SMILES
COC(=O)C1=NOC(=C1)C2=NC=CS2
InChI
InChI=1S/C8H6N2O3S/c1-12-8(11)5-4-6(13-10-5)7-9-2-3-14-7/h2-4H,1H3
InChIKey
OJDXFHLYVJEQMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
48.95
TPSA
65.22

LogP / Solubility

WLOGP
1.58
MLOGP
1.4
XLogP3
1.3
Consensus LogP
1.43
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

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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