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CAS 2006277-70-7 Methyl 6-Fluoro-2-methoxy-3-(methylsulfonyl)benzoate molecular structure lightbox
CAS RN: 2006277-70-7

Methyl 6-Fluoro-2-methoxy-3-(methylsulfonyl)benzoate

  • Product code: SSC-094517
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 2006277-70-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry

2006277-70-7 / methyl 6-fluoro-2-methoxy-3-methylsulfonylbenzoate

Standard CAS: 2006277-70-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2006277-70-7
Multi CAS
No
Molecular Formula
C10H11FO5S
Molecular Weight
262.260000
Exact Mass
262.031123
SMILES
COC1=C(C=CC(=C1C(=O)OC)F)S(=O)(=O)C
InChI
InChI=1S/C10H11FO5S/c1-15-9-7(17(3,13)14)5-4-6(11)8(9)10(12)16-2/h4-5H,1-3H3
InChIKey
APKMGRXGYRZONX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
57.4
TPSA
69.67

LogP / Solubility

WLOGP
1.02
MLOGP
0.91
XLogP3
1.1
Consensus LogP
1.01
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-3.59

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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