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CAS 178747-50-7 3-Chloro-5-fluoro-benzo[d]isoxazole molecular structure lightbox
CAS RN: 178747-50-7

3-Chloro-5-fluoro-benzo[d]isoxazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250109 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-079543
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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 178747-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

178747-50-7 / 3-chloro-5-fluoro-1,2-benzoxazole

Standard CAS: 178747-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
178747-50-7
Multi CAS
No
Molecular Formula
C7H3ClFNO
Molecular Weight
171.550000
Exact Mass
170.988720
SMILES
C1=CC2=C(C=C1F)C(=NO2)Cl
InChI
InChI=1S/C7H3ClFNO/c8-7-5-3-4(9)1-2-6(5)11-10-7/h1-3H
InChIKey
NXXMYNTVLHIRDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
38.98
TPSA
26.03

LogP / Solubility

WLOGP
2.62
MLOGP
2.3
XLogP3
2.8
Consensus LogP
2.57
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-1.91

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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