CAS RN: 2133499-85-9
HSP27 inhibitor J2
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250823 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260311 | 1g | Out of stock | Inquiry | |
| Batchno.20260419 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260225 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250517 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260301 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250613 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2133499-85-9
- Purity/Analytical Methods: >99.0%
2133499-85-9 / 5-hydroxy-2-methyl-7-(thiiran-2-ylmethoxy)chromen-4-one
Basic Information
CAS
2133499-85-9
Multi CAS
No
Molecular Formula
C13H12O4S
Molecular Weight
264.300000
Exact Mass
264.045630
SMILES
CC1=CC(=O)C2=C(C=C(C=C2O1)OCC3CS3)O
InChI
InChI=1S/C13H12O4S/c1-7-2-10(14)13-11(15)3-8(4-12(13)17-7)16-5-9-6-18-9/h2-4,9,15H,5-6H2,1H3
InChIKey
VDCWAGBPDCXRDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.63
TPSA
59.67
LogP / Solubility
WLOGP
2.3
MLOGP
2.03
XLogP3
1.6
Consensus LogP
1.98
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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