CAS RN: 351353-48-5
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10 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250602 | 10mg / 50mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS351353-48-5
- Purity/Analytical Methods: >99.0%
351353-48-5 / 2,6-dimethoxy-4-(4-phenyl-5-thiophen-2-yl-1H-imidazol-2-yl)phenol
Basic Information
CAS
351353-48-5
Multi CAS
No
Molecular Formula
C21H18N2O3S
Molecular Weight
378.400000
Exact Mass
378.103814
InChI
InChI=1S/C21H18N2O3S/c1-25-15-11-14(12-16(26-2)20(15)24)21-22-18(13-7-4-3-5-8-13)19(23-21)17-9-6-10-27-17/h3-12,24H,1-2H3,(H,22,23)
InChIKey
JMXVHYPSBANVAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
22
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
107.54
TPSA
67.37
LogP / Solubility
WLOGP
5.2
MLOGP
4.59
XLogP3
4.4
Consensus LogP
4.73
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.03
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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