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CAS 2006278-07-3 Methyl 2-Fluoro-6-methoxy-3-(methylsulfonyl)benzoate molecular structure lightbox
CAS RN: 2006278-07-3

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

  • Product code: SSC-094551
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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, 1000g
  • Available purity: ≥95%
  • Inventory rows with stock: 8
  • 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 2006278-07-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shanghai Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g -- 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g -- 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
5g -- 5 In Stock Shenzhen Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
1000g -- 0 Out of Stock Shenzhen Inquiry

2006278-07-3 / methyl 2-fluoro-6-methoxy-3-methylsulfonylbenzoate

Standard CAS: 2006278-07-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2006278-07-3
Multi CAS
No
Molecular Formula
C10H11FO5S
Molecular Weight
262.260000
Exact Mass
262.031123
SMILES
COC1=C(C(=C(C=C1)S(=O)(=O)C)F)C(=O)OC
InChI
InChI=1S/C10H11FO5S/c1-15-6-4-5-7(17(3,13)14)9(11)8(6)10(12)16-2/h4-5H,1-3H3
InChIKey
LTNZZYNLHZJVMW-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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