![CAS 1859918-13-0 4-(2-(tert-Butyl)-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-imidazol-4-yl)pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1859918-13-0.gif)
CAS RN: 1859918-13-0
4-(2-(tert-Butyl)-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-imidazol-4-yl)pyridine
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.20251030 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1859918-13-0
- Purity/Analytical Methods: >99.0%
1859918-13-0 / 4-[2-tert-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-5-yl]pyridine
Basic Information
CAS
1859918-13-0
Multi CAS
No
Molecular Formula
C20H21N3O2
Molecular Weight
335.400000
Exact Mass
335.163377
SMILES
CC(C)(C)C1=NC(=C(N1)C2=CC=NC=C2)C3=CC4=C(C=C3)OCCO4
InChI
InChI=1S/C20H21N3O2/c1-20(2,3)19-22-17(13-6-8-21-9-7-13)18(23-19)14-4-5-15-16(12-14)25-11-10-24-15/h4-9,12H,10-11H2,1-3H3,(H,22,23)
InChIKey
FMMASVYJXZCKKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
17
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
96.94
TPSA
60.03
LogP / Solubility
WLOGP
4.21
MLOGP
3.72
XLogP3
3.7
Consensus LogP
3.88
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78
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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