![CAS 2231744-57-1 Acetic acid, 2-[2-[(6-chlorohexyl)oxy]ethoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2231744-57-1.gif)
CAS RN: 2231744-57-1
Acetic acid, 2-[2-[(6-chlorohexyl)oxy]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.20250825 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-108875
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 | Beijing | Inquiry |
2231744-57-1 / 2-[2-(6-chlorohexoxy)ethoxy]acetic acid
Basic Information
CAS
2231744-57-1
Multi CAS
No
Molecular Formula
C10H19ClO4
Molecular Weight
238.710000
Exact Mass
238.097187
SMILES
C(CCCCl)CCOCCOCC(=O)O
InChI
InChI=1S/C10H19ClO4/c11-5-3-1-2-4-6-14-7-8-15-9-10(12)13/h1-9H2,(H,12,13)
InChIKey
NFVRQBNHQOLQED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
11
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.46
TPSA
55.76
LogP / Solubility
WLOGP
1.9
MLOGP
1.68
XLogP3
1.5
Consensus LogP
1.69
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.11
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)
-2.82
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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