CAS RN: 2281885-69-4
(R)-3-(Adamantan-1-yl)-1-(2-hydroxy-1-phenylethyl)-4,5-dihydro-1H-imidazol-3-ium hexafluorophosphate(V)
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260428 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260616 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260602 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250920 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250129 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2281885-69-4
- Purity/Analytical Methods: >99.0%
2281885-69-4 / (2R)-2-[3-(1-adamantyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-phenylethanol hexafluorophosphate
Basic Information
CAS
2281885-69-4
Multi CAS
No
Molecular Formula
C21H29F6N2OP
Molecular Weight
470.400000
Exact Mass
470.192170
SMILES
C1C[N+](=CN1C23CC4CC(C2)CC(C4)C3)[C@@H](CO)C5=CC=CC=C5.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C21H29N2O.F6P/c24-14-20(19-4-2-1-3-5-19)22-6-7-23(15-22)21-11-16-8-17(12-21)10-18(9-16)13-21;1-7(2,3,4,5)6/h1-5,15-18,20,24H,6-14H2;/q+1;-1/t16?,17?,18?,20-,21?;/m0./s1
InChIKey
CFULMPHUNBFTOK-HIPARXCMSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
108.64
TPSA
26.48
LogP / Solubility
WLOGP
6.43
MLOGP
5.69
XLogP3
6.43
Consensus LogP
6.18
Log S (ESOL)
-6.69
Class (ESOL)
Insoluble
Log S (Ali)
-8.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5
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![CAS 2283330-44-7 Oxazole, 2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[4-(1,1-dimethylethyl)-4,5-dihydro-, (4S,4’S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2283330-44-7.gif)
