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CAS 4442-53-9 1,4-Benzodioxane-5-carboxylic Acid molecular structure lightbox
CAS RN: 4442-53-9

1,4-Benzodioxane-5-carboxylic Acid

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250325 1g In stock Shanghai Inquiry
Batchno.20250815 25g In stock Shandong Inquiry
Batchno.20250416 5g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260423 100g In stock Shanghai Inquiry
Batchno.20251109 10g In stock Shanghai Inquiry
Batchno.20250515 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250709 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20251029 5g In stock Shanghai Inquiry
  • Product code: SSC-152433
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4442-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

4442-53-9 / 2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

Standard CAS: 4442-53-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4442-53-9
Multi CAS
No
Molecular Formula
C9H8O4
Molecular Weight
180.160000
Exact Mass
180.042259
InChI
InChI=1S/C9H8O4/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-3H,4-5H2,(H,10,11)
InChIKey
VCLSWKVAHAJSFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.39
TPSA
55.76

LogP / Solubility

WLOGP
1.16
MLOGP
1.01
XLogP3
1.2
Consensus LogP
1.12
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-3

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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