CAS RN: 1429054-28-3
IDF-11774
Product Availability
Choose a grade to view its available package options.
7 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250801 | 100mg | Out of stock | Inquiry | |
| Batchno.20251001 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250220 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260510 | 250mg | Out of stock | Inquiry | |
| Batchno.20251010 | 25mg | Out of stock | Inquiry | |
| Batchno.20260414 | 50mg | Out of stock | Inquiry | |
| Batchno.20250417 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1429054-28-3
- Purity/Analytical Methods: >99.0%
1429054-28-3 / 2-[4-(1-adamantyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
Basic Information
CAS
1429054-28-3
Multi CAS
No
Molecular Formula
C23H32N2O2
Molecular Weight
368.500000
Exact Mass
368.246378
SMILES
CN1CCN(CC1)C(=O)COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C23H32N2O2/c1-24-6-8-25(9-7-24)22(26)16-27-21-4-2-20(3-5-21)23-13-17-10-18(14-23)12-19(11-17)15-23/h2-5,17-19H,6-16H2,1H3
InChIKey
QGBBBLPWBSWERZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
105.86
TPSA
32.78
LogP / Solubility
WLOGP
3.31
MLOGP
2.93
XLogP3
4.6
Consensus LogP
3.61
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8
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