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CAS 111887-72-0 Ethanone,1-(2-fluoro-4-pyridinyl)- molecular structure lightbox
CAS RN: 111887-72-0

Ethanone,1-(2-fluoro-4-pyridinyl)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251204 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-012362
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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: >97%
  • Inventory rows with stock: 3
  • 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 111887-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

111887-72-0 / 1-(2-fluoro-4-pyridinyl)ethanone

1-(2-FLUOROPYRIDIN-4-YL)ETHAN-1-ONE | 1-(2-Fluoro-4-pyridinyl)ethanone | DTXSID901303117

Standard CAS: 111887-72-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111887-72-0
Multi CAS
No
Molecular Formula
C7H6FNO
Molecular Weight
139.130000
Exact Mass
139.043342
SMILES
CC(=O)C1=CC(=NC=C1)F
InChI
InChI=1S/C7H6FNO/c1-5(10)6-2-3-9-7(8)4-6/h2-4H,1H3
InChIKey
OJYXKBMRTTZINQ-UHFFFAOYSA-N
Synonyms
1-(2-FLUOROPYRIDIN-4-YL)ETHAN-1-ONE 1-(2-Fluoro-4-pyridinyl)ethanone DTXSID901303117 RefChem:422011 DTXCID801733163

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
34.2
TPSA
29.96

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
1
Consensus LogP
1.22
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-2.56

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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