[email protected]
CAS 2250-48-8 1-(5-fluoro-2-nitrophenyl)ethanone molecular structure lightbox
CAS RN: 2250-48-8

1-(5-fluoro-2-nitrophenyl)ethanone

  • Product code: SSC-110013
GET A QUOTE
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: 0.25g, 5g, 10g, 25g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 2250-48-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 5 In Stock Hong Kong Inquiry
5g ≥97% 5 In Stock Beijing Inquiry
10g ≥97% 5 In Stock Hong Kong Inquiry
25g ≥97% 5 In Stock Hong Kong Inquiry
1g ≥97% 4 In Stock Shanghai Inquiry

2250-48-8 / 1-(5-fluoro-2-nitrophenyl)ethanone

Standard CAS: 2250-48-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2250-48-8
Multi CAS
No
Molecular Formula
C8H6FNO3
Molecular Weight
183.140000
Exact Mass
183.033171
SMILES
CC(=O)C1=C(C=CC(=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C8H6FNO3/c1-5(11)7-4-6(9)2-3-8(7)10(12)13/h2-4H,1H3
InChIKey
VPAGKEZJDCSVOW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
43.06
TPSA
60.21

LogP / Solubility

WLOGP
1.94
MLOGP
1.7
XLogP3
1.4
Consensus LogP
1.68
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.46

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

Customers Also Viewed

Get In Touch

Contact Us