CAS RN: 5137-45-1
ETHYLENE GLYCOL ETHYL METHYL ETHER
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS5137-45-1
- Purity/Analytical Methods: >99.0%
5137-45-1 / 1-ethoxy-2-methoxyethane
Basic Information
CAS
5137-45-1
Multi CAS
Yes
Molecular Formula
C5H12O2
Molecular Weight
104.150000
Exact Mass
104.083730
InChI
InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3
InChIKey
CAQYAZNFWDDMIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
28.37
TPSA
18.46
LogP / Solubility
WLOGP
0.67
MLOGP
0.58
XLogP3
0.3
Consensus LogP
0.52
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
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)
-2.88
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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