![CAS 147083-36-1 11-(1-Methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[d]iMidazo[1,2-a]azepine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147083-36-1.gif)
CAS RN: 147083-36-1
11-(1-Methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[d]iMidazo[1,2-a]azepine
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.20251128 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS147083-36-1
- Purity/Analytical Methods: >99.0%
147083-36-1 / 11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine
Basic Information
CAS
147083-36-1
Multi CAS
No
Molecular Formula
C18H21N3
Molecular Weight
279.400000
Exact Mass
279.173548
SMILES
CN1CCC(=C2C3=CC=CC=C3CCN4C2=NC=C4)CC1
InChI
InChI=1S/C18H21N3/c1-20-10-6-15(7-11-20)17-16-5-3-2-4-14(16)8-12-21-13-9-19-18(17)21/h2-5,9,13H,6-8,10-12H2,1H3
InChIKey
GKTUOCXSVQTQJF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.39
H-bond acceptors
3
Molar refractivity
85.13
TPSA
21.06
LogP / Solubility
WLOGP
2.97
MLOGP
2.62
XLogP3
1.9
Consensus LogP
2.5
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 147086-79-1 4H-Thieno[2,3-b]thiopyran-4-one,5,6-dihydro-6-methyl-, (6S) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147086-79-1.gif)
