CAS RN: 924537-98-4
BT-13
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251205 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS924537-98-4
- Purity/Analytical Methods: >99.0%
924537-98-4 / N,N-diethyl-3-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-methoxybenzenesulfonamide
Basic Information
CAS
924537-98-4
Multi CAS
No
Molecular Formula
C23F4H27N3O4S
Molecular Weight
517.500000
Exact Mass
517.165840
InChI
InChI=1S/C23H27F4N3O4S/c1-4-30(5-2)35(32,33)17-7-9-21(34-3)20(15-17)28-10-12-29(13-11-28)22(31)18-8-6-16(24)14-19(18)23(25,26)27/h6-9,14-15H,4-5,10-13H2,1-3H3
InChIKey
GTDJOGZANHPKMR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
122.62
TPSA
70.16
LogP / Solubility
WLOGP
3.85
MLOGP
3.42
XLogP3
3.8
Consensus LogP
3.69
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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