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CAS 938-40-9 2H-1-Benzopyran-2-one, 4-bromo- molecular structure lightbox
CAS RN: 938-40-9

2H-1-Benzopyran-2-one, 4-bromo-

  • Product code: SSC-208298
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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: 5g, 1g, 10g, 0.1g, 0.25g
  • Available purity: ≥95%
  • 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 938-40-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 4 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
10g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry

938-40-9 / 4-bromochromen-2-one

Standard CAS: 938-40-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
938-40-9
Multi CAS
No
Molecular Formula
C9H5BRO2
Molecular Weight
225.040000
Exact Mass
223.947290
InChI
InChI=1S/C9H5BrO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H
InChIKey
CSMSWYXPXRIHBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
50.18
TPSA
30.21

LogP / Solubility

WLOGP
2.56
MLOGP
2.25
XLogP3
2.3
Consensus LogP
2.37
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

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

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