CAS RN: 60477-38-5
Pifithrin-α, p-nitro, cyclic
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251201 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS60477-38-5
- Purity/Analytical Methods: >99.0%
60477-38-5 / 2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
Basic Information
CAS
60477-38-5
Multi CAS
No
Molecular Formula
C15H13N3O2S
Molecular Weight
299.300000
Exact Mass
299.072848
InChI
InChI=1S/C15H13N3O2S/c19-18(20)11-7-5-10(6-8-11)12-9-17-13-3-1-2-4-14(13)21-15(17)16-12/h5-9H,1-4H2
InChIKey
XMFNSEDROOHGBY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
81.8
TPSA
60.44
LogP / Solubility
WLOGP
3.85
MLOGP
3.4
XLogP3
4.4
Consensus LogP
3.88
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
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
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