CAS RN: 554438-52-7
LASV inhibitor 3.3
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260410 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS554438-52-7
- Purity/Analytical Methods: >99.0%
554438-52-7 / N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide
Basic Information
CAS
554438-52-7
Multi CAS
Yes
Molecular Formula
C30H37N3O2
Molecular Weight
471.600000
Exact Mass
471.288577
InChI
InChI=1S/C30H37N3O2/c34-27(21-31-29(35)30-18-22-15-23(19-30)17-24(16-22)20-30)32-11-13-33(14-12-32)28(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-10,22-24,28H,11-21H2,(H,31,35)
InChIKey
CUSOKWBOIRFXDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.53
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
136.49
TPSA
52.65
LogP / Solubility
WLOGP
4.25
MLOGP
3.78
XLogP3
4.7
Consensus LogP
4.24
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.98
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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5
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