![CAS 1256584-80-1 9-ethyl-8-iodo-6,6-diMethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256584-80-1.gif)
CAS RN: 1256584-80-1
9-ethyl-8-iodo-6,6-diMethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250529 | 100mg | In stock | Shanghai | Inquiry |
- Product code: SSC-030560
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1256584-80-1 / 9-ethyl-8-iodo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
Basic Information
CAS
1256584-80-1
Multi CAS
No
Molecular Formula
C21H17IN2O
Molecular Weight
440.300000
Exact Mass
440.038560
SMILES
CCC1=CC2=C(C=C1I)C(C3=C(C2=O)C4=C(N3)C=C(C=C4)C#N)(C)C
InChI
InChI=1S/C21H17IN2O/c1-4-12-8-14-15(9-16(12)22)21(2,3)20-18(19(14)25)13-6-5-11(10-23)7-17(13)24-20/h5-9,24H,4H2,1-3H3
InChIKey
IQWNZLQAANHDSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.24
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
107.11
TPSA
56.65
LogP / Solubility
WLOGP
5.08
MLOGP
4.5
XLogP3
5.6
Consensus LogP
5.06
Log S (ESOL)
-6.15
Class (ESOL)
Insoluble
Log S (Ali)
-6.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
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)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1256589-74-8 9-ethyl-6,6-diMethyl-8-(4-Morpholinopiperidin-1-yl)-11-oxo-5a,6,11,11a-tetrahydro-5H-benzo[b]carbazole-3-carbonitrile hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256589-74-8.gif)
