CAS RN: 1956356-56-1
KYA1797K
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260621 | 10mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20251225 | 1mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry | |
| Batchno.20250118 | 1mg / 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
| Batchno.20250909 | 25mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20260529 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250813 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS1956356-56-1
- Purity/Analytical Methods: >99.0%
1956356-56-1 / potassium 3-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
Basic Information
CAS
1956356-56-1
Multi CAS
No
Molecular Formula
C17H11KN2O6S2
Molecular Weight
442.500000
Exact Mass
441.969560
SMILES
C1=CC(=CC=C1C2=CC=C(O2)/C=C\3/C(=O)N(C(=S)S3)CCC(=O)[O-])[N+](=O)[O-].[K+]
InChI
InChI=1S/C17H12N2O6S2.K/c20-15(21)7-8-18-16(22)14(27-17(18)26)9-12-5-6-13(25-12)10-1-3-11(4-2-10)19(23)24;/h1-6,9H,7-8H2,(H,20,21);/q;+1/p-1/b14-9-;
InChIKey
PHUNRLYHXGMOLG-WQRRWHLMSA-M
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
11
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
8
Molar refractivity
100.3
TPSA
116.72
LogP / Solubility
WLOGP
-0.8
MLOGP
-0.67
XLogP3
-0.8
Consensus LogP
-0.76
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.99
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
No
Synthetic Accessibility
2.5
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