CAS RN: 1815598-71-0
“CU-3(DGKα inhibitor CU-3)”
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251101 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250805 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250501 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250506 | 250mg | Out of stock | Inquiry | |
| Batchno.20251005 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260624 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250315 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1815598-71-0
- Purity/Analytical Methods: >99.0%
1815598-71-0 / N-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Basic Information
CAS
1815598-71-0
Multi CAS
No
Molecular Formula
C16H12N2O4S3
Molecular Weight
392.500000
Exact Mass
391.995920
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C/C=C/C3=CC=CO3)/SC2=S
InChI
InChI=1S/C16H12N2O4S3/c19-15-14(10-4-6-12-7-5-11-22-12)24-16(23)18(15)17-25(20,21)13-8-2-1-3-9-13/h1-11,17H/b6-4+,14-10-
InChIKey
YIUMXULORVBWLL-SPGDJUBISA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
11
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
99.62
TPSA
79.62
LogP / Solubility
WLOGP
2.93
MLOGP
2.6
XLogP3
3.6
Consensus LogP
3.04
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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