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CAS 1147557-74-1 2,6-Difluoro-4-(Methylsulfonyl)aniline molecular structure lightbox
CAS RN: 1147557-74-1

2,6-Difluoro-4-(Methylsulfonyl)aniline

  • Product code: SSC-014487
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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: 5g, 1g, 0.25g, 0.1g, 10g
  • 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 1147557-74-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 4 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

1147557-74-1 / 2,6-difluoro-4-methylsulfonylaniline

2,6-Difluoro-4-(methylsulfonyl)aniline | 2,6-difluoro-4-methylsulfonylaniline | MFCD24642337

Standard CAS: 1147557-74-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1147557-74-1
Multi CAS
No
Molecular Formula
C7H7F2NO2S
Molecular Weight
207.200000
Exact Mass
207.016556
SMILES
CS(=O)(=O)C1=CC(=C(C(=C1)F)N)F
InChI
InChI=1S/C7H7F2NO2S/c1-13(11,12)4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3
InChIKey
CNSKTQPFHJZAAQ-UHFFFAOYSA-N
Synonyms
2,6-Difluoro-4-(methylsulfonyl)aniline 2,6-difluoro-4-methylsulfonylaniline MFCD24642337 Benzenamine, 2,6-difluoro-4-(methylsulfonyl)- SCHEMBL10152040

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.88
TPSA
60.16

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
0.7
Consensus LogP
0.83
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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