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CAS 22934-58-3 METHYL 3-METHOXY-4,5-METHYLENEDIOXYBENZOATE molecular structure lightbox
CAS RN: 22934-58-3

METHYL 3-METHOXY-4,5-METHYLENEDIOXYBENZOATE

  • Product code: SSC-111566
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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, 5g, 0.1g, 0.25g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 22934-58-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
10g ≥95% 1 In Stock Shenzhen Inquiry

22934-58-3 / methyl 7-methoxy-1,3-benzodioxole-5-carboxylate

Standard CAS: 22934-58-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22934-58-3
Multi CAS
No
Molecular Formula
C10H10O5
Molecular Weight
210.180000
Exact Mass
210.052823
SMILES
COC1=CC(=CC2=C1OCO2)C(=O)OC
InChI
InChI=1S/C10H10O5/c1-12-7-3-6(10(11)13-2)4-8-9(7)15-5-14-8/h3-4H,5H2,1-2H3
InChIKey
DQQKIGXHWZLSCW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
50.46
TPSA
53.99

LogP / Solubility

WLOGP
1.21
MLOGP
1.07
XLogP3
1.6
Consensus LogP
1.29
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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