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CAS 66033-73-6 6-CHLORO-3-METHYLBENZODISOXAZOLE molecular structure lightbox
CAS RN: 66033-73-6

6-CHLORO-3-METHYLBENZODISOXAZOLE

  • Product code: SSC-175663
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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: 5g
  • 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 66033-73-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

66033-73-6 / 6-chloro-3-methyl-1,2-benzoxazole

Standard CAS: 66033-73-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66033-73-6
Multi CAS
No
Molecular Formula
C8H6CLNO
Molecular Weight
167.590000
Exact Mass
167.013792
InChI
InChI=1S/C8H6ClNO/c1-5-7-3-2-6(9)4-8(7)11-10-5/h2-4H,1H3
InChIKey
ISWNSTAUYQDVBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
43.76
TPSA
26.03

LogP / Solubility

WLOGP
2.79
MLOGP
2.45
XLogP3
2.7
Consensus LogP
2.65
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-1.76

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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