CAS RN: 1182733-62-5
Loxoprofen Impurity 34
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250202 | 25mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1182733-62-5
- Purity/Analytical Methods: >99.0%
1182733-62-5 / 6-methyl-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]-1H-benzimidazole
6-Methyl-2-(((3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole | C17H16F3N3OS | SCHEMBL26639252
Basic Information
CAS
1182733-62-5
Multi CAS
No
Molecular Formula
C17H16F3N3OS
Molecular Weight
367.400000
Exact Mass
367.096618
SMILES
CC1=CC2=C(C=C1)N=C(N2)SCC3=NC=CC(=C3C)OCC(F)(F)F
InChI
InChI=1S/C17H16F3N3OS/c1-10-3-4-12-13(7-10)23-16(22-12)25-8-14-11(2)15(5-6-21-14)24-9-17(18,19)20/h3-7H,8-9H2,1-2H3,(H,22,23)
InChIKey
LVKVCXXGDUKUNS-UHFFFAOYSA-N
Synonyms
6-Methyl-2-(((3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole
C17H16F3N3OS
SCHEMBL26639252
SCHEMBL26765076
SCHEMBL29527095
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.92
TPSA
50.8
LogP / Solubility
WLOGP
4.81
MLOGP
4.25
XLogP3
4.6
Consensus LogP
4.55
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.64
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)
-1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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