![CAS 439607-87-1 5-BROMOBENZO[D]OXAZOLE-2-THIOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/439607-87-1.gif)
CAS RN: 439607-87-1
5-BROMOBENZO[D]OXAZOLE-2-THIOL
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-152020
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: 0.25g, 1g, 5g, 10g, 25g
- Available purity: >97%
- 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 |
|---|---|---|---|---|
| 0.25g | >97% | 2 In Stock | Beijing | Inquiry |
| 1g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 2 In Stock | Shanghai | Inquiry |
| 10g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 2 In Stock | Beijing | Inquiry |
439607-87-1 / 5-bromo-3H-1,3-benzoxazole-2-thione
Basic Information
CAS
439607-87-1
Multi CAS
Yes
Molecular Formula
BC7H4ORnS
Molecular Weight
230.080000
Exact Mass
228.919700
InChI
InChI=1S/C7H4BrNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)
InChIKey
YFFBNUPHVZYFQL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.1
TPSA
28.93
LogP / Solubility
WLOGP
3.25
MLOGP
2.87
XLogP3
2.4
Consensus LogP
2.84
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-1.81
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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