CAS RN: 1456551-16-8
JG98
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250704 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260615 | 10mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250404 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250228 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250129 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260121 | 25mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260211 | 50mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260117 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS1456551-16-8
- Purity/Analytical Methods: >99.0%
1456551-16-8 / (2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one chloride
Basic Information
CAS
1456551-16-8
Multi CAS
No
Molecular Formula
C24H21Cl2N3OS3
Molecular Weight
534.500000
Exact Mass
533.022381
SMILES
CCN1/C(=C/C2=[N+](C=CS2)CC3=CC=CC=C3)/S/C(=C/4\N(C5=C(S4)C=C(C=C5)Cl)C)/C1=O.[Cl-]
InChI
InChI=1S/C24H21ClN3OS3.ClH/c1-3-28-21(14-20-27(11-12-30-20)15-16-7-5-4-6-8-16)32-22(23(28)29)24-26(2)18-10-9-17(25)13-19(18)31-24;/h4-14H,3,15H2,1-2H3;1H/q+1;/p-1/b24-22+;
InChIKey
AUPPGWXGMILTRB-HDPAMLMOSA-M
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
22
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
136.25
TPSA
29.12
LogP / Solubility
WLOGP
1.12
MLOGP
1.03
XLogP3
1.12
Consensus LogP
1.09
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly 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)
-5.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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