CAS RN: 79714-31-1
CT 112
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250102 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS79714-31-1
- Purity/Analytical Methods: >99.0%
79714-31-1 / 5-(3-ethoxy-4-pentoxyphenyl)-1,3-thiazolidine-2,4-dione
Basic Information
CAS
79714-31-1
Multi CAS
Yes
Molecular Formula
C16H21NO4S
Molecular Weight
323.400000
Exact Mass
323.119129
InChI
InChI=1S/C16H21NO4S/c1-3-5-6-9-21-12-8-7-11(10-13(12)20-4-2)14-15(18)17-16(19)22-14/h7-8,10,14H,3-6,9H2,1-2H3,(H,17,18,19)
InChIKey
CRPGRUONUFDYBG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
86.5
TPSA
64.63
LogP / Solubility
WLOGP
3.68
MLOGP
3.25
XLogP3
3.9
Consensus LogP
3.61
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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