![CAS 202189-77-3 2-(2-(4-(2-(4-(1-(2-ethoxyethyl)-1H-benzo[d]imidazol-2-yl)piperidin-1-yl)ethyl)phenyl)propan-2-yl)-4,4-dimethyl-4,5-dihydrooxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/202189-77-3.gif)
CAS RN: 202189-77-3
2-(2-(4-(2-(4-(1-(2-ethoxyethyl)-1H-benzo[d]imidazol-2-yl)piperidin-1-yl)ethyl)phenyl)propan-2-yl)-4,4-dimethyl-4,5-dihydrooxazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260601 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS202189-77-3
- Purity/Analytical Methods: >99.0%
202189-77-3 / 2-[2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole
Basic Information
CAS
202189-77-3
Multi CAS
No
Molecular Formula
C32H44N4O2
Molecular Weight
516.700000
Exact Mass
516.346427
SMILES
CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C5=NC(CO5)(C)C
InChI
InChI=1S/C32H44N4O2/c1-6-37-22-21-36-28-10-8-7-9-27(28)33-29(36)25-16-19-35(20-17-25)18-15-24-11-13-26(14-12-24)32(4,5)30-34-31(2,3)23-38-30/h7-14,25H,6,15-23H2,1-5H3
InChIKey
MXKMEANVUFWYSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
15
Fraction Csp3
0.56
Rotatable bonds
10
H-bond acceptors
6
Molar refractivity
155.28
TPSA
51.88
LogP / Solubility
WLOGP
5.98
MLOGP
5.3
XLogP3
5.2
Consensus LogP
5.49
Log S (ESOL)
-6.44
Class (ESOL)
Insoluble
Log S (Ali)
-8.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H341 (33.3%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501
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