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CAS 1354930-93-0 3-(4-bromophenyl)-1,2-oxazol-5-ol molecular structure lightbox
CAS RN: 1354930-93-0

3-(4-bromophenyl)-1,2-oxazol-5-ol

  • Product code: SSC-043913
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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: 8
  • 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 1354930-93-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g ≥97% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g ≥97% 1 In Stock Shanghai Inquiry
1g -- 1 In Stock Beijing Inquiry
1g ≥97% 1 In Stock Shenzhen Inquiry
5g -- 1 In Stock Beijing Inquiry
5g ≥97% 1 In Stock Hong Kong Inquiry

1354930-93-0 / 3-(4-bromophenyl)-2H-1,2-oxazol-5-one

Standard CAS: 1354930-93-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1354930-93-0
Multi CAS
No
Molecular Formula
C9H6BrNO2
Molecular Weight
240.050000
Exact Mass
238.958190
SMILES
C1=CC(=CC=C1C2=CC(=O)ON2)Br
InChI
InChI=1S/C9H6BrNO2/c10-7-3-1-6(2-4-7)8-5-9(12)13-11-8/h1-5,11H
InChIKey
SJZVBCDBPNOPHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.46
TPSA
46

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
2.6
Consensus LogP
2.37
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

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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