CAS RN: 7778-85-0
1,2-Dimethoxypropane
Product Availability
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3 package records3 with current stock1 grade group
- Product code: ICTD4281
- Purity/Analytical Methods: >98.0%(GC)
7778-85-0 / 1,2-dimethoxypropane
Basic Information
CAS
7778-85-0
Multi CAS
No
Molecular Formula
C5H12O2
Molecular Weight
104.150000
Exact Mass
104.083730
InChI
InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3
InChIKey
LEEANUDEDHYDTG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
28.35
TPSA
18.46
LogP / Solubility
WLOGP
0.67
MLOGP
0.58
XLogP3
-0.1
Consensus LogP
0.38
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.25
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
Leadlikeness
No
Synthetic Accessibility
2
