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, 10g, 25g, 100g, 500g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 1g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
57381-62-1 / (4-bromophenyl)methyl carbonochloridate
Basic Information
CAS
57381-62-1
Multi CAS
Yes
Molecular Formula
C8H6BRCLO2
Molecular Weight
249.490000
Exact Mass
247.923970
InChI
InChI=1S/C8H6BrClO2/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2
InChIKey
GRSFXTWVHXJJQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
50.18
TPSA
26.3
LogP / Solubility
WLOGP
3.32
MLOGP
2.93
XLogP3
4.1
Consensus LogP
3.45
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly 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)
-1.88
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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6,6-Dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione
- CAS RN: 5617-70-9
- Product Code: SSC-164146
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