![CAS 1256577-71-5 6,6-diMethyl-8-(4-Morpholinopiperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256577-71-5.gif)
CAS RN: 1256577-71-5
6,6-diMethyl-8-(4-Morpholinopiperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
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.20250221 | 50mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1256577-71-5
- Purity/Analytical Methods: >99.0%
1256577-71-5 / 6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
Basic Information
CAS
1256577-71-5
Multi CAS
No
Molecular Formula
C28H30N4O2
Molecular Weight
454.600000
Exact Mass
454.236876
SMILES
CC1(C2=C(C=CC(=C2)N3CCC(CC3)N4CCOCC4)C(=O)C5=C1NC6=C5C=CC(=C6)C#N)C
InChI
InChI=1S/C28H30N4O2/c1-28(2)23-16-20(31-9-7-19(8-10-31)32-11-13-34-14-12-32)4-6-21(23)26(33)25-22-5-3-18(17-29)15-24(22)30-27(25)28/h3-6,15-16,19,30H,7-14H2,1-2H3
InChIKey
OVRQGEYZDUHJNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
15
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
132.64
TPSA
72.36
LogP / Solubility
WLOGP
4.21
MLOGP
3.74
XLogP3
4.5
Consensus LogP
4.15
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.35
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)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 1256579-00-6 9-broMo-8-Methoxy-6,6-diMethyl-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256579-00-6.gif)
![CAS 1256579-03-9 9-broMo-8-Methoxy-6,6-diMethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256579-03-9.gif)
![CAS 1256579-06-2 9-broMo-8-hydroxy-6,6-diMethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256579-06-2.gif)
