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CAS 20197-75-5 2,3-dihydro-1,4-benzodioxine -6-carboxylic acid methyl ester molecular structure lightbox
CAS RN: 20197-75-5

2,3-dihydro-1,4-benzodioxine -6-carboxylic acid methyl ester

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260528 10g Out of stock Inquiry
Batchno.20260610 1g In stock Shanghai Inquiry
Batchno.20260407 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250802 25g Out of stock Inquiry
Batchno.20251210 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-095181
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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: 1g, 10g, 25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 20197-75-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Beijing Inquiry
25g >97% 1 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

20197-75-5 / methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Standard CAS: 20197-75-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20197-75-5
Multi CAS
No
Molecular Formula
C10H10O4
Molecular Weight
194.180000
Exact Mass
194.057909
SMILES
COC(=O)C1=CC2=C(C=C1)OCCO2
InChI
InChI=1S/C10H10O4/c1-12-10(11)7-2-3-8-9(6-7)14-5-4-13-8/h2-3,6H,4-5H2,1H3
InChIKey
GYUXWAIDEGEMEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
48.77
TPSA
44.76

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
0.6
Consensus LogP
0.98
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately 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)
-3.02

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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