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CAS 1375064-53-1 Methyl 5-(1-Methyl-2-pyrrolyl)isoxazole-3-carboxylate molecular structure lightbox
CAS RN: 1375064-53-1

Methyl 5-(1-Methyl-2-pyrrolyl)isoxazole-3-carboxylate

  • Product code: SSC-047151
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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: >97%
  • 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 1375064-53-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry

1375064-53-1 / methyl 5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxylate

Standard CAS: 1375064-53-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375064-53-1
Multi CAS
No
Molecular Formula
C10H10N2O3
Molecular Weight
206.200000
Exact Mass
206.069142
SMILES
CN1C=CC=C1C2=CC(=NO2)C(=O)OC
InChI
InChI=1S/C10H10N2O3/c1-12-5-3-4-8(12)9-6-7(11-15-9)10(13)14-2/h3-6H,1-2H3
InChIKey
QOTQMCIMLRRIDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
52.25
TPSA
57.26

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
1
Consensus LogP
1.25
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94

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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