![CAS 1355955-95-1 Ethanol, 2-[2-[2-[(6-chlorohexyl)oxy]ethoxy]ethoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1355955-95-1.gif)
CAS RN: 1355955-95-1
Ethanol, 2-[2-[2-[(6-chlorohexyl)oxy]ethoxy]ethoxy]-
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.20251016 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-044103
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1355955-95-1 / 2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethanol
Basic Information
CAS
1355955-95-1
Multi CAS
No
Molecular Formula
C12H25ClO4
Molecular Weight
268.780000
Exact Mass
268.144137
SMILES
C(CCCCl)CCOCCOCCOCCO
InChI
InChI=1S/C12H25ClO4/c13-5-3-1-2-4-7-15-9-11-17-12-10-16-8-6-14/h14H,1-12H2
InChIKey
DCDZHDUAQJDOIH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
14
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.73
TPSA
47.92
LogP / Solubility
WLOGP
1.83
MLOGP
1.62
XLogP3
1.2
Consensus LogP
1.55
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly 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)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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