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CAS 1375064-71-3 5-(4-Carboxyphenyl)isoxazole-3-carboxylic Acid molecular structure lightbox
CAS RN: 1375064-71-3

5-(4-Carboxyphenyl)isoxazole-3-carboxylic Acid

  • Product code: SSC-047169
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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: >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 1375064-71-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 3 In Stock Beijing Inquiry

1375064-71-3 / 5-(4-carboxyphenyl)-1,2-oxazole-3-carboxylic acid

Standard CAS: 1375064-71-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375064-71-3
Multi CAS
No
Molecular Formula
C11H7NO5
Molecular Weight
233.180000
Exact Mass
233.032422
SMILES
C1=CC(=CC=C1C2=CC(=NO2)C(=O)O)C(=O)O
InChI
InChI=1S/C11H7NO5/c13-10(14)7-3-1-6(2-4-7)9-5-8(11(15)16)12-17-9/h1-5H,(H,13,14)(H,15,16)
InChIKey
FUWUAFDSPMHYPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
55.86
TPSA
100.63

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.5
Consensus LogP
1.59
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91

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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