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CAS 7116-16-7 4-Chloro-2,1,3-benzoxadiazole molecular structure lightbox
CAS RN: 7116-16-7

4-Chloro-2,1,3-benzoxadiazole

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251016 100g In stock Shanghai Inquiry
Batchno.20250822 10g In stock Shanghai Inquiry
Batchno.20251225 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20251223 25g In stock Shanghai Inquiry
Batchno.20250603 5g In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-180817
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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: ＞97%
  • 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 7116-16-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

7116-16-7 / 4-chloro-2,1,3-benzoxadiazole

Standard CAS: 7116-16-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7116-16-7
Multi CAS
Yes
Molecular Formula
C6H3CLN2O
Molecular Weight
154.550000
Exact Mass
153.993390
InChI
InChI=1S/C6H3ClN2O/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H
InChIKey
YLEBWUGKYMZPQQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
36.81
TPSA
38.92

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.8
Consensus LogP
1.78
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.33

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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