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CAS 1260903-12-5 7-Bromo-5-chlorobenzo[d]isoxazole molecular structure lightbox
CAS RN: 1260903-12-5

7-Bromo-5-chlorobenzo[d]isoxazole

  • Product code: SSC-032359
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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 1260903-12-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1260903-12-5 / 7-bromo-5-chloro-1,2-benzoxazole

Standard CAS: 1260903-12-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260903-12-5
Multi CAS
No
Molecular Formula
C7H3BrClNO
Molecular Weight
232.460000
Exact Mass
230.908650
SMILES
C1=C(C=C(C2=C1C=NO2)Br)Cl
InChI
InChI=1S/C7H3BrClNO/c8-6-2-5(9)1-4-3-10-11-7(4)6/h1-3H
InChIKey
HCDGSNNVDFZCJI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
46.72
TPSA
26.03

LogP / Solubility

WLOGP
3.24
MLOGP
2.86
XLogP3
3
Consensus LogP
3.03
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-1.84

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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