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CAS 387358-51-2 2-FLUORO-5-(METHYLSULFONYL)ANILINE molecular structure lightbox
CAS RN: 387358-51-2

2-FLUORO-5-(METHYLSULFONYL)ANILINE

  • Product code: SSC-146350
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 387358-51-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

387358-51-2 / 2-fluoro-5-methylsulfonylaniline

Standard CAS: 387358-51-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
387358-51-2
Multi CAS
No
Molecular Formula
C7FH8NO2S
Molecular Weight
189.210000
Exact Mass
189.025978
InChI
InChI=1S/C7H8FNO2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
InChIKey
NUBPBOIRQMDMNG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.92
TPSA
60.16

LogP / Solubility

WLOGP
0.81
MLOGP
0.71
XLogP3
0.7
Consensus LogP
0.74
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-3.3

Drug-likeness / Medicinal Chemistry

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

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