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CAS 31301-39-0 3-(4-CHLOROPHENYL)ISOXAZOLE molecular structure lightbox
CAS RN: 31301-39-0

3-(4-CHLOROPHENYL)ISOXAZOLE

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260616 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-136620
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 31301-39-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

31301-39-0 / 3-(4-chlorophenyl)-1,2-oxazole

Standard CAS: 31301-39-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31301-39-0
Multi CAS
No
Molecular Formula
C9H6CLNO
Molecular Weight
179.600000
Exact Mass
179.013792
InChI
InChI=1S/C9H6ClNO/c10-8-3-1-7(2-4-8)9-5-6-12-11-9/h1-6H
InChIKey
JEOLWVGGGFZWHS-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
2.7
Consensus LogP
2.78
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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