CAS RN: 147900-49-0

5-Fluorobenzo[d][1,3]dioxole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251115 100mg / 250mg / 1g Out of stock 1 business days Inquiry
  • Product code: SSC-058380
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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: 1g, 10g, 0.1g, 5g, 0.25g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • 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 147900-49-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
10g ≥97% 3 In Stock Shenzhen Inquiry
0.1g ≥97% 2 In Stock Beijing Inquiry
5g ≥97% 2 In Stock Beijing Inquiry
0.25g ≥97% 1 In Stock Shanghai Inquiry

147900-49-0 / 5-fluoro-1,3-benzodioxole

Standard CAS: 147900-49-0 Multi CAS: No

Basic Information

CAS
147900-49-0
Multi CAS
No
Molecular Formula
C7H5FO2
Molecular Weight
140.110000
Exact Mass
140.027358
SMILES
C1OC2=C(O1)C=C(C=C2)F
InChI
InChI=1S/C7H5FO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2
InChIKey
GCPUMFAGCOLKAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
32.52
TPSA
18.46

LogP / Solubility

WLOGP
1.55
MLOGP
1.36
XLogP3
1.7
Consensus LogP
1.54
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-2.47

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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