CAS RN: 1256585-15-5
Alectinib-d8
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.20260607 | 1mg / 5mg / 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1256585-15-5
- Purity/Analytical Methods: >99.0%
1256585-15-5 / 9-ethyl-6,6-dimethyl-8-[4-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)piperidin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
Basic Information
CAS
1256585-15-5
Multi CAS
No
Molecular Formula
C30H34N4O2
Molecular Weight
490.700000
Exact Mass
490.318390
SMILES
[2H]C1(C(OC(C(N1C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N)([2H])[2H])([2H])[2H])([2H])[2H])[2H]
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/i11D2,12D2,13D2,14D2
InChIKey
KDGFLJKFZUIJMX-FUEQIQQISA-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
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