CAS RN: 4431-83-8
BIS(2-METHOXYETHOXY)METHANE
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS4431-83-8
- Purity/Analytical Methods: >99.0%
4431-83-8 / 1-methoxy-2-(2-methoxyethoxymethoxy)ethane
Basic Information
CAS
4431-83-8
Multi CAS
Yes
Molecular Formula
C7H16O4
Molecular Weight
164.200000
Exact Mass
164.104859
InChI
InChI=1S/C7H16O4/c1-8-3-5-10-7-11-6-4-9-2/h3-7H2,1-2H3
InChIKey
QWRBKBNCFWPVJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
40.52
TPSA
36.92
LogP / Solubility
WLOGP
0.27
MLOGP
0.23
XLogP3
-0.4
Consensus LogP
0.03
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-3.53
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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