CAS RN: 187947-37-1
AA-5-HT
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.20250830 | 10mg / 25mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS187947-37-1
- Purity/Analytical Methods: >99.0%
187947-37-1 / (5Z,8Z,11Z,14Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosa-5,8,11,14-tetraenamide
Basic Information
CAS
187947-37-1
Multi CAS
No
Molecular Formula
C30H42N2O2
Molecular Weight
462.700000
Exact Mass
462.324629
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O
InChI
InChI=1S/C30H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)31-23-22-26-25-32-29-21-20-27(33)24-28(26)29/h6-7,9-10,12-13,15-16,20-21,24-25,32-33H,2-5,8,11,14,17-19,22-23H2,1H3,(H,31,34)/b7-6-,10-9-,13-12-,16-15-
InChIKey
QJDNHGXNNRLIGA-DOFZRALJSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
9
Fraction Csp3
0.43
Rotatable bonds
17
H-bond acceptors
2
H-bond donors
3
Molar refractivity
145.08
TPSA
65.12
LogP / Solubility
WLOGP
7.68
MLOGP
6.79
XLogP3
7
Consensus LogP
7.16
Log S (ESOL)
-6.62
Class (ESOL)
Insoluble
Log S (Ali)
-8.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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