CAS RN: 74885-72-6
5-carboxyamidotryptamine maleate
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251114 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS74885-72-6
- Purity/Analytical Methods: >99.0%
74885-72-6 / 3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid;ethanol
Basic Information
CAS
74885-72-6
Multi CAS
Yes
Molecular Formula
C17H23N3O6
Molecular Weight
365.400000
Exact Mass
365.158685
InChI
InChI=1S/C11H13N3O.C4H4O4/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10;5-3(6)1-2-4(7)8/h1-2,5-6,14H,3-4,12H2,(H2,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
PZQZSWAOVAMBQM-BTJKTKAUSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
9
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
6
Molar refractivity
96.75
TPSA
179.73
LogP / Solubility
WLOGP
0.48
MLOGP
0.44
XLogP3
0.48
Consensus LogP
0.47
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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