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CAS 2006276-95-3 Methyl 2,6-Dimethoxy-3-(methylsulfonyl)benzoate molecular structure lightbox
CAS RN: 2006276-95-3

Methyl 2,6-Dimethoxy-3-(methylsulfonyl)benzoate

  • Product code: SSC-094454
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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, 0.25g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 2006276-95-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Beijing Inquiry
0.25g ≥95% 3 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

2006276-95-3 / methyl 2,6-dimethoxy-3-methylsulfonylbenzoate

Standard CAS: 2006276-95-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2006276-95-3
Multi CAS
No
Molecular Formula
C11H14O6S
Molecular Weight
274.290000
Exact Mass
274.051109
SMILES
COC1=C(C(=C(C=C1)S(=O)(=O)C)OC)C(=O)OC
InChI
InChI=1S/C11H14O6S/c1-15-7-5-6-8(18(4,13)14)10(16-2)9(7)11(12)17-3/h5-6H,1-4H3
InChIKey
IPVORZVNUODJSE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
64
TPSA
78.9

LogP / Solubility

WLOGP
0.89
MLOGP
0.8
XLogP3
1
Consensus LogP
0.9
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-3.76

Drug-likeness / Medicinal Chemistry

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

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