![CAS 115621-84-6 2,3-Dihydro-5-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]imidazo[2,1-a]isoquinoline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/115621-84-6.gif)
CAS RN: 115621-84-6
2,3-Dihydro-5-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]imidazo[2,1-a]isoquinoline
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251024 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS115621-84-6
- Purity/Analytical Methods: >99.0%
115621-84-6 / 5-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline
Sdz 64-412 | 5-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline | SDZ-64-412
Basic Information
CAS
115621-84-6
Multi CAS
Yes
Molecular Formula
C28H28N2O3
Molecular Weight
440.500000
Exact Mass
440.209993
SMILES
COC1=CC(=CC(=C1OC)OC)CCC2=CC=C(C=C2)C3=CC4=CC=CC=C4C5=NCCN35
InChI
InChI=1S/C28H28N2O3/c1-31-25-16-20(17-26(32-2)27(25)33-3)9-8-19-10-12-21(13-11-19)24-18-22-6-4-5-7-23(22)28-29-14-15-30(24)28/h4-7,10-13,16-18H,8-9,14-15H2,1-3H3
InChIKey
FKRBSORUVOGNEK-UHFFFAOYSA-N
Synonyms
Sdz 64-412
5-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline
SDZ-64-412
Imidazo(2,1-a)isoquinoline, 2,3-dihydro-5-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)phenyl)-, monohydrochloride
5-(4-(2-(3,4,5-trimethoxyphenyl)ethyl)phenyl)-2,3-dihydroimidazo(2,1-a)isoquinoline
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
132.37
TPSA
43.29
LogP / Solubility
WLOGP
5.07
MLOGP
4.49
XLogP3
5
Consensus LogP
4.85
Log S (ESOL)
-5.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.57
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)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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