CAS RN: 1256580-46-7
Alectinib
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock3 grade groups
- Product code: SSC-030556
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: >95%
- 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 | >95% | 0 Out of Stock | Hong Kong | Inquiry |
1256580-46-7 / 9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
Basic Information
CAS
1256580-46-7
Multi CAS
No
Molecular Formula
C30H34N4O2
Molecular Weight
482.600000
Exact Mass
482.268176
SMILES
CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C
InChI
InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3
InChIKey
KDGFLJKFZUIJMX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
15
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
142.02
TPSA
72.36
LogP / Solubility
WLOGP
4.77
MLOGP
4.23
XLogP3
5.2
Consensus LogP
4.73
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.12
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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H341 (33.3%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
H361 (33.3%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
H373 (33.3%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P280, P318, P319, P405, and P501
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![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 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)
