![CAS 36140-65-5 5-[(2-nitrophenyl)methylidene]thiazolidine-2,4-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/36140-65-5.gif)
CAS RN: 36140-65-5
5-[(2-nitrophenyl)methylidene]thiazolidine-2,4-dione
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS36140-65-5
- Purity/Analytical Methods: >99.0%
36140-65-5 / 5-[(2-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Basic Information
CAS
36140-65-5
Multi CAS
Yes
Molecular Formula
C10H6N2O4S
Molecular Weight
250.230000
Exact Mass
250.004828
InChI
InChI=1S/C10H6N2O4S/c13-9-8(17-10(14)11-9)5-6-3-1-2-4-7(6)12(15)16/h1-5H,(H,11,13,14)
InChIKey
AOOOVMMYAYKAGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.2
TPSA
89.31
LogP / Solubility
WLOGP
1.92
MLOGP
1.69
XLogP3
2
Consensus LogP
1.87
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88
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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![CAS 36150-23-9 (3aβ,6aβ)-1β-(3,4-Dimethoxyphenyl)-4β-(1,3-benzodioxole-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/36150-23-9.gif)
