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, 5g, 0.1g, 0.25g, 10g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 3 In Stock | Beijing | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 25g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
4750-22-5 / 4-bromo-3-nitrobenzenesulfonyl chloride
Basic Information
CAS
4750-22-5
Multi CAS
No
Molecular Formula
C6H3BRCLNO4S
Molecular Weight
300.510000
Exact Mass
298.865470
InChI
InChI=1S/C6H3BrClNO4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H
InChIKey
OHJQQLFBGSDTEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
53.84
TPSA
77.28
LogP / Solubility
WLOGP
2.28
MLOGP
2.02
XLogP3
2.5
Consensus LogP
2.27
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 4751-61-5 4,6,7,8-TETRAHYDRO-THIENO[3,2-B]AZEPIN-5-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/4751-61-5.gif)
