CAS RN: 1128165-88-7
Dynole 34-2
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250902 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251228 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250130 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260328 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250317 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251211 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250322 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1128165-88-7
- Purity/Analytical Methods: >99.0%
1128165-88-7 / (E)-2-cyano-3-[1-[3-(dimethylamino)propyl]indol-3-yl]-N-octylprop-2-enamide
dynole 34-2 | 2-Cyano-3-(1-(3-(dimethylamino)propyl)-1H-indol-3-yl)-N-octylacrylamide | 2-Cyano-3-[1-[3-(dimethylamino)propyl]-1H-indol-3-yl]-N-octyl-2-propenamide
Basic Information
CAS
1128165-88-7
Multi CAS
Yes
Molecular Formula
C25H36N4O
Molecular Weight
408.600000
Exact Mass
408.288912
SMILES
CCCCCCCCNC(=O)/C(=C/C1=CN(C2=CC=CC=C21)CCCN(C)C)/C#N
InChI
InChI=1S/C25H36N4O/c1-4-5-6-7-8-11-15-27-25(30)21(19-26)18-22-20-29(17-12-16-28(2)3)24-14-10-9-13-23(22)24/h9-10,13-14,18,20H,4-8,11-12,15-17H2,1-3H3,(H,27,30)/b21-18+
InChIKey
MYIMRONQBLZJFI-DYTRJAOYSA-N
Synonyms
dynole 34-2
2-Cyano-3-(1-(3-(dimethylamino)propyl)-1H-indol-3-yl)-N-octylacrylamide
2-Cyano-3-[1-[3-(dimethylamino)propyl]-1H-indol-3-yl]-N-octyl-2-propenamide
CHEMBL483059
(E)-2-cyano-3-[1-[3-(dimethylamino)propyl]indol-3-yl]-N-octylprop-2-enamide
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
9
Fraction Csp3
0.52
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
1
Molar refractivity
125.08
TPSA
61.06
LogP / Solubility
WLOGP
4.98
MLOGP
4.4
XLogP3
5.4
Consensus LogP
4.93
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.01
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)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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