CAS RN: 3511-19-1
2,3-Dichlorotetrahydrofuran
Product Availability
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2 package records2 with current stock1 grade group
- Product code: ICTD0985
- Purity/Analytical Methods: >90.0%(GC)
3511-19-1 / 2,3-dichlorooxolane
Basic Information
CAS
3511-19-1
Multi CAS
Yes
Molecular Formula
C4H6CL2O
Molecular Weight
140.990000
Exact Mass
139.979570
InChI
InChI=1S/C4H6Cl2O/c5-3-1-2-7-4(3)6/h3-4H,1-2H2
InChIKey
ZQHLMWUFVRLDRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
29.85
TPSA
9.23
LogP / Solubility
WLOGP
1.58
MLOGP
1.38
XLogP3
1.6
Consensus LogP
1.52
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-2.46
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
2.5
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