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CAS 111141-00-5 8-Fluoro-4-chromanone molecular structure lightbox
CAS RN: 111141-00-5

8-Fluoro-4-chromanone

Product Availability

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10 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251107 1g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250124 100mg In stock Inquiry
Batchno.20260118 1g In stock Inquiry
Batchno.20260329 250mg In stock Inquiry
Batchno.20260130 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250723 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250203 1g In stock Shanghai, Wuhan Inquiry
Batchno.20250323 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250508 25g In stock Shanghai Inquiry
Batchno.20250621 5g In stock Shanghai Inquiry
  • Product code: SSC-012007
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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, 10g, 25g, 100g
  • Available purity: >98%
  • Inventory rows with stock: 7
  • 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 111141-00-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 5 In Stock Shanghai Inquiry
0.25g >98% 5 In Stock Shenzhen Inquiry
1g >98% 5 In Stock Hong Kong Inquiry
5g >98% 5 In Stock Beijing Inquiry
10g >98% 5 In Stock Shanghai Inquiry
25g >98% 5 In Stock Hong Kong Inquiry
100g >98% 5 In Stock Shenzhen Inquiry

111141-00-5 / 8-fluoro-2,3-dihydrochromen-4-one

8-fluoro-3,4-dihydro-2H-1-benzopyran-4-one | RefChem:548062 | 818-158-1

Standard CAS: 111141-00-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111141-00-5
Multi CAS
Yes
Molecular Formula
C9H7FO2
Molecular Weight
166.150000
Exact Mass
166.043008
SMILES
C1COC2=C(C1=O)C=CC=C2F
InChI
InChI=1S/C9H7FO2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5H2
InChIKey
FKDMFDMYQZIZMI-UHFFFAOYSA-N
Synonyms
8-fluoro-3,4-dihydro-2H-1-benzopyran-4-one RefChem:548062 818-158-1 8-fluorochroman-4-one 8-Fluoro-4-chromanone

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
40.84
TPSA
26.3

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
1.5
Consensus LogP
1.62
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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
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] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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