CAS RN: 865674-89-1
4-Thiazolidinone,3-phenyl-2-selenoxo-
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS865674-89-1
- Purity/Analytical Methods: >99.0%
865674-89-1 / 3-phenyl-2-selanylidene-1,3-thiazolidin-4-one
Basic Information
CAS
865674-89-1
Multi CAS
No
Molecular Formula
C9H7NOSSE
Molecular Weight
256.200000
Exact Mass
256.941360
InChI
InChI=1S/C9H7NOSSe/c11-8-6-12-9(13)10(8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
DLMWRZYVPNRFJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
57.15
TPSA
20.31
LogP / Solubility
WLOGP
1.02
MLOGP
0.91
XLogP3
1.02
Consensus LogP
0.98
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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