CAS RN: 1219795-51-3
2-BROMOCHLOROBENZENE-D4
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260205 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-024824
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1219795-51-3 / 1-bromo-2-chloro-3,4,5,6-tetradeuteriobenzene
Basic Information
CAS
1219795-51-3
Multi CAS
No
Molecular Formula
C6H4BrCl
Molecular Weight
195.480000
Exact Mass
193.943600
SMILES
[2H]C1=C(C(=C(C(=C1[2H])Cl)Br)[2H])[2H]
InChI
InChI=1S/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H/i1D,2D,3D,4D
InChIKey
QBELEDRHMPMKHP-RHQRLBAQSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
Molar refractivity
39.15
TPSA
0.0000
LogP / Solubility
WLOGP
3.1
MLOGP
2.73
XLogP3
3.2
Consensus LogP
3.01
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly 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)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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