[email protected]
CAS 28026-16-6 N-ACETYL-5-ACETOXYTRYPTAMINE molecular structure lightbox
CAS RN: 28026-16-6

N-ACETYL-5-ACETOXYTRYPTAMINE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250611 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS28026-16-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

28026-16-6 / [3-(2-acetamidoethyl)-1H-indol-5-yl] acetate

Standard CAS: 28026-16-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28026-16-6
Multi CAS
No
Molecular Formula
C14H16N2O3
Molecular Weight
260.290000
Exact Mass
260.116092
InChI
InChI=1S/C14H16N2O3/c1-9(17)15-6-5-11-8-16-14-4-3-12(7-13(11)14)19-10(2)18/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17)
InChIKey
HTXAKOWTTUTRIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72
TPSA
71.19

LogP / Solubility

WLOGP
1.77
MLOGP
1.57
XLogP3
0.6
Consensus LogP
1.31
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us