CAS RN: 190277-13-5
5-METHOXYCARBONYLAMINO-N-ACETYLTRYPTAMINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260428 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS190277-13-5
- Purity/Analytical Methods: >99.0%
190277-13-5 / methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate
Basic Information
CAS
190277-13-5
Multi CAS
No
Molecular Formula
C14H17N3O3
Molecular Weight
275.300000
Exact Mass
275.126991
SMILES
CC(=O)NCCC1=CNC2=C1C=C(C=C2)NC(=O)OC
InChI
InChI=1S/C14H17N3O3/c1-9(18)15-6-5-10-8-16-13-4-3-11(7-12(10)13)17-14(19)20-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18)(H,17,19)
InChIKey
MPZVHKLZCUEJFO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
76.71
TPSA
83.22
LogP / Solubility
WLOGP
2.02
MLOGP
1.79
XLogP3
0.4
Consensus LogP
1.4
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS190314-15-9
- Purity/Analytical method: >99.0%
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