CAS RN: 1198117-23-5
SodiuM Channel inhibitor 1
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251004 | 2mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1198117-23-5
- Purity/Analytical Methods: >99.0%
1198117-23-5 / 7-fluoro-3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
Sodium Channel inhibitor 1 | 7-FLUORO-3-OXO-2-(2-(PYRIDIN-2-YL)ETHYL)-N-(4-(TRIFLUOROMETHOXY)BENZYL)ISOINDOLINE-1-CARBOXAMIDE | Sodium-Channel-inhibitor-1
Basic Information
CAS
1198117-23-5
Multi CAS
Yes
Molecular Formula
C24H19F4N3O3
Molecular Weight
473.400000
Exact Mass
473.136254
SMILES
C1=CC=NC(=C1)CCN2C(C3=C(C2=O)C=CC=C3F)C(=O)NCC4=CC=C(C=C4)OC(F)(F)F
InChI
InChI=1S/C24H19F4N3O3/c25-19-6-3-5-18-20(19)21(31(23(18)33)13-11-16-4-1-2-12-29-16)22(32)30-14-15-7-9-17(10-8-15)34-24(26,27)28/h1-10,12,21H,11,13-14H2,(H,30,32)
InChIKey
GRXUKFHZQDPFAI-UHFFFAOYSA-N
Synonyms
Sodium Channel inhibitor 1
7-FLUORO-3-OXO-2-(2-(PYRIDIN-2-YL)ETHYL)-N-(4-(TRIFLUOROMETHOXY)BENZYL)ISOINDOLINE-1-CARBOXAMIDE
Sodium-Channel-inhibitor-1
CHEMBL2164368
MFCD26960937
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
113.09
TPSA
71.53
LogP / Solubility
WLOGP
4.18
MLOGP
3.71
XLogP3
4.2
Consensus LogP
4.03
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.04
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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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