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CAS 2171-74-6 BENZO[1,3]DIOXOL-2-ONE molecular structure lightbox
CAS RN: 2171-74-6

BENZO[1,3]DIOXOL-2-ONE

Product Availability

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3 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250228 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251123 100mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251003 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-104565
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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 2171-74-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2171-74-6 / 1,3-benzodioxol-2-one

Standard CAS: 2171-74-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2171-74-6
Multi CAS
No
Molecular Formula
C7H4O3
Molecular Weight
136.100000
Exact Mass
136.016044
SMILES
C1=CC=C2C(=C1)OC(=O)O2
InChI
InChI=1S/C7H4O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChIKey
NZPSDGIEKAQVEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
34.75
TPSA
43.35

LogP / Solubility

WLOGP
1.39
MLOGP
1.21
XLogP3
1.7
Consensus LogP
1.43
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

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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