![CAS 2205032-89-7 Methanone, [4-(1,1-dimethylethyl)-1-piperidinyl][4-(hydroxydiphenylmethyl)-2H-1,2,3-triazol-2-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2205032-89-7.gif)
CAS RN: 2205032-89-7
Methanone, [4-(1,1-dimethylethyl)-1-piperidinyl][4-(hydroxydiphenylmethyl)-2H-1,2,3-triazol-2-yl]-
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250116 | 1mg / 5mg / 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2205032-89-7
- Purity/Analytical Methods: >99.0%
2205032-89-7 / (4-tert-butylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-2-yl]methanone
Basic Information
CAS
2205032-89-7
Multi CAS
No
Molecular Formula
C25H30N4O2
Molecular Weight
418.500000
Exact Mass
418.236876
SMILES
CC(C)(C)C1CCN(CC1)C(=O)N2N=CC(=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C25H30N4O2/c1-24(2,3)19-14-16-28(17-15-19)23(30)29-26-18-22(27-29)25(31,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,31H,14-17H2,1-3H3
InChIKey
LPTMHNPBMQCQPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
17
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
119.55
TPSA
71.25
LogP / Solubility
WLOGP
4.29
MLOGP
3.8
XLogP3
4.9
Consensus LogP
4.33
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.3
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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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