CAS RN: 6941-69-1
1,2-Bis(chloroacetoxy)ethane
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-179094
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
6941-69-1 / 2-(2-chloroacetyl)oxyethyl 2-chloroacetate
Basic Information
CAS
6941-69-1
Multi CAS
Yes
Molecular Formula
C6H8CL2O4
Molecular Weight
215.030000
Exact Mass
213.979964
InChI
InChI=1S/C6H8Cl2O4/c7-3-5(9)11-1-2-12-6(10)4-8/h1-4H2
InChIKey
HIIBHBNRMVLLKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
43.36
TPSA
52.6
LogP / Solubility
WLOGP
0.55
MLOGP
0.49
XLogP3
1.2
Consensus LogP
0.75
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately 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)
-3.64
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
