![CAS 849677-06-1 Ethanol, 2-[4-[2-(2-hydroxyethoxy)ethoxy]phenoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/849677-06-1.gif)
CAS RN: 849677-06-1
Ethanol, 2-[4-[2-(2-hydroxyethoxy)ethoxy]phenoxy]-
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260419 | 25g / 100g / 500g / 2.5kg / 10kg | Confirm by inquiry | Shanghai, Guangdong, Hebei | Inquiry |
- Product code: starshine_CAS849677-06-1
- Purity/Analytical Methods: >99.0%
849677-06-1 / 2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
Basic Information
CAS
849677-06-1
Multi CAS
Yes
Molecular Formula
C12H18O5
Molecular Weight
242.270000
Exact Mass
242.115424
InChI
InChI=1S/C12H18O5/c13-5-7-15-9-10-17-12-3-1-11(2-4-12)16-8-6-14/h1-4,13-14H,5-10H2
InChIKey
BPNUQIRNZYOASC-UHFFFAOYSA-N
Physical Properties
Boiling Point
120-125 °C at 0.27 kPa
Density
1.056 @ 20 °C
Physical Description
Liquid
Colorless liquid, with an ester-like odor; [HSDB]
Appearance
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
62.37
TPSA
61.83
LogP / Solubility
WLOGP
1.24
MLOGP
1.1
XLogP3
1.8
Consensus LogP
1.38
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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