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
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 2 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 2 In Stock | Shanghai | Inquiry |
| 1g | >95% | 2 In Stock | Beijing | Inquiry |
| 5g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 2 In Stock | Beijing | Inquiry |
38169-99-2 / 5-bromochromen-2-one
Basic Information
CAS
38169-99-2
Multi CAS
Yes
Molecular Formula
C9H5BRO2
Molecular Weight
225.040000
Exact Mass
223.947290
InChI
InChI=1S/C9H5BrO2/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5H
InChIKey
ZBZOUPQOVMAVPH-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
2.6
Consensus LogP
2.47
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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