CAS RN: 349480-76-8
3,3-Dimethyl-5-ethyltetrahydrofuran-2-one
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS349480-76-8
- Purity/Analytical Methods: >99.0%
349480-76-8 / ethyl imidazo[2,1-b][1,3]thiazole-2-carboxylate
Basic Information
CAS
349480-76-8
Multi CAS
No
Molecular Formula
C8H8N2O2S
Molecular Weight
196.230000
Exact Mass
196.030649
InChI
InChI=1S/C8H8N2O2S/c1-2-12-7(11)6-5-10-4-3-9-8(10)13-6/h3-5H,2H2,1H3
InChIKey
SNVHVXKMFBAXNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
8
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
49.03
TPSA
43.6
LogP / Solubility
WLOGP
1.57
MLOGP
1.38
XLogP3
2.4
Consensus LogP
1.78
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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ethyl iMidazo[2,1-b]thiazole-5-carboxylate
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