CAS RN: 16686-11-6
2-(3-Chloropropyl)-1,3-dioxolane
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-072805
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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Beijing | Inquiry |
16686-11-6 / 2-(3-chloropropyl)-1,3-dioxolane
Basic Information
CAS
16686-11-6
Multi CAS
No
Molecular Formula
C6H11ClO2
Molecular Weight
150.600000
Exact Mass
150.044757
SMILES
C1COC(O1)CCCCl
InChI
InChI=1S/C6H11ClO2/c7-3-1-2-6-8-4-5-9-6/h6H,1-5H2
InChIKey
ZBPUNVFDQXYNDY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
35.65
TPSA
18.46
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
1.2
Consensus LogP
1.26
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
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)
-2.66
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
1.5
