CAS RN: 6322-60-7
4-(4-OXO-2-THIOXO-THIAZOLIDIN-3-YL)-BENZOIC ACID
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.20250106 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6322-60-7
- Purity/Analytical Methods: >99.0%
6322-60-7 / 4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
Basic Information
CAS
6322-60-7
Multi CAS
No
Molecular Formula
C10H7NO3S2
Molecular Weight
253.300000
Exact Mass
252.986735
InChI
InChI=1S/C10H7NO3S2/c12-8-5-16-10(15)11(8)7-3-1-6(2-4-7)9(13)14/h1-4H,5H2,(H,13,14)
InChIKey
GYORTKHHBDTZHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.94
TPSA
57.61
LogP / Solubility
WLOGP
1.75
MLOGP
1.55
XLogP3
1.9
Consensus LogP
1.73
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS6324-72-7
- Purity/Analytical method: >99.0%
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![CAS 6324-89-6 2,2-DIMETHYL-BENZO[1,3]DIOXOL-5-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6324-89-6.gif)