CAS RN: 50594-97-3
Bis(1-chloroethyl) carbonate
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.20250424 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-157182
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 | Shenzhen | Inquiry |
50594-97-3 / bis(1-chloroethyl) carbonate
Basic Information
CAS
50594-97-3
Multi CAS
Yes
Molecular Formula
C5H8CL2O3
Molecular Weight
187.020000
Exact Mass
185.985050
InChI
InChI=1S/C5H8Cl2O3/c1-3(6)9-5(8)10-4(2)7/h3-4H,1-2H3
InChIKey
MZFKWPWFMYRWPP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
38.2
TPSA
35.53
LogP / Solubility
WLOGP
2.31
MLOGP
2.03
XLogP3
2.8
Consensus LogP
2.38
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.22
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
2.5
