CAS RN: 14258-40-3
2-(2-Chloro ethoxy) Ethyl acetate
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.20260131 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS14258-40-3
- Purity/Analytical Methods: >99.0%
14258-40-3 / 2-(2-chloroethoxy)ethyl acetate
Basic Information
CAS
14258-40-3
Multi CAS
No
Molecular Formula
C6H11ClO3
Molecular Weight
166.600000
Exact Mass
166.039672
SMILES
CC(=O)OCCOCCCl
InChI
InChI=1S/C6H11ClO3/c1-6(8)10-5-4-9-3-2-7/h2-5H2,1H3
InChIKey
ZUZWLUYOVJTJAG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
38.17
TPSA
35.53
LogP / Solubility
WLOGP
0.8
MLOGP
0.7
XLogP3
0.6
Consensus LogP
0.7
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-3.16
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
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