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: 100g
- 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 |
|---|---|---|---|---|
| 100g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
69430-36-0 / 2-bromo-2-chloroacetic acid
Basic Information
CAS
69430-36-0
Multi CAS
No
Molecular Formula
C2H2BRCLO2
Molecular Weight
173.390000
Exact Mass
171.892670
InChI
InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKey
GEHJBWKLJVFKPS-UHFFFAOYSA-N
Physical Properties
Boiling Point
215 °C at 760 mm Hg; 104 °C at 11 mm Hg
Density
1.9848 g/cu cm at 31 °C
Physical Description
Crystalline compound; [PubChem]
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.2
TPSA
37.3
LogP / Solubility
WLOGP
1.03
MLOGP
0.9
XLogP3
1.3
Consensus LogP
1.08
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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- Product Code: SSC-179060
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