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CAS 89808-76-4 5-(3-CHLOROPHENYL)OXAZOLE molecular structure lightbox
CAS RN: 89808-76-4

5-(3-CHLOROPHENYL)OXAZOLE

  • Product code: SSC-201885
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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: 0.25g, 1g, 5g, 0.1g
  • 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 89808-76-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
1g >97% 2 In Stock Beijing Inquiry
5g >97% 1 In Stock Hong Kong Inquiry
0.1g >97% 0 Out of Stock Shanghai Inquiry

89808-76-4 / 5-(3-chlorophenyl)-1,3-oxazole

Standard CAS: 89808-76-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89808-76-4
Multi CAS
Yes
Molecular Formula
C9H6CLNO
Molecular Weight
179.600000
Exact Mass
179.013792
InChI
InChI=1S/C9H6ClNO/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H
InChIKey
NJVHPUNGYNOCQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.95
TPSA
26.03

LogP / Solubility

WLOGP
3
MLOGP
2.63
XLogP3
2.6
Consensus LogP
2.74
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-1.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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