CAS RN: 1025821-33-3
GSK-626616
Product Availability
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10 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250619 | 100mg | In stock | Inquiry | ||
| Batchno.20250510 | 10mg | In stock | Inquiry | ||
| Batchno.20260115 | 1mg / 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 20 business days | Inquiry |
| Batchno.20250706 | 25mg | In stock | Inquiry | ||
| Batchno.20250627 | 50mg | In stock | Inquiry | ||
| Batchno.20260607 | 5mg | In stock | Inquiry |
- Product code: starshine_CAS1025821-33-3
- Purity/Analytical Methods: >99.0%
1025821-33-3 / (5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one
GSK-626616 | OKY0RM282V | 4(5H)-Thiazolone, 2-((2,6-dichlorophenyl)amino)-5-(6-quinoxalinylmethylene)-, (5Z)-
Basic Information
CAS
1025821-33-3
Multi CAS
Yes
Molecular Formula
C18H10Cl2N4OS
Molecular Weight
401.300000
Exact Mass
399.995238
SMILES
C1=CC(=C(C(=C1)Cl)N=C2NC(=O)/C(=C/C3=CC4=NC=CN=C4C=C3)/S2)Cl
InChI
InChI=1S/C18H10Cl2N4OS/c19-11-2-1-3-12(20)16(11)23-18-24-17(25)15(26-18)9-10-4-5-13-14(8-10)22-7-6-21-13/h1-9H,(H,23,24,25)/b15-9-
InChIKey
RJPNRXFBYZVRIB-DHDCSXOGSA-N
Synonyms
GSK-626616
OKY0RM282V
4(5H)-Thiazolone, 2-((2,6-dichlorophenyl)amino)-5-(6-quinoxalinylmethylene)-, (5Z)-
(5Z)-2-(2,6-Dichloroanilino)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolone
(5Z)-2-[(2,6-dichlorophenyl)amino]-5-[(quinoxalin-6-yl)methylidene]-4,5-dihydro-1,3-thiazol-4-one
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
106.81
TPSA
67.24
LogP / Solubility
WLOGP
4.83
MLOGP
4.27
XLogP3
4.6
Consensus LogP
4.57
Log S (ESOL)
-5.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.52
Class (SILICOS-IT)
Insoluble
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)
-1.74
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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