CAS RN: 330203-01-5
TC HSD 21
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250816 | 1mg / 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS330203-01-5
- Purity/Analytical Methods: >99.0%
330203-01-5 / (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Basic Information
CAS
330203-01-5
Multi CAS
Yes
Molecular Formula
BC17H12O3RnS2
Molecular Weight
422.300000
Exact Mass
420.944200
InChI
InChI=1S/C17H12BrNO3S2/c1-22-12-5-3-11(4-6-12)19-16(21)15(24-17(19)23)9-10-2-7-14(20)13(18)8-10/h2-9,20H,1H3/b15-9-
InChIKey
HEFKAUYVLSGPGC-DHDCSXOGSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
104.45
TPSA
49.77
LogP / Solubility
WLOGP
4.57
MLOGP
4.05
XLogP3
4.8
Consensus LogP
4.47
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.56
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)
-2.05
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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