CAS RN: 69533-61-5
6-Hydroxy Melatonin-d4
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260622 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS69533-61-5
- Purity/Analytical Methods: >99.0%
69533-61-5 / N-[1,1,2,2-tetradeuterio-2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Basic Information
CAS
69533-61-5
Multi CAS
No
Molecular Formula
C13H16N2O3
Molecular Weight
252.300000
Exact Mass
252.141199
InChI
InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)/i3D2,4D2
InChIKey
OMYMRCXOJJZYKE-KHORGVISSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
68.9
TPSA
74.35
LogP / Solubility
WLOGP
1.56
MLOGP
1.38
XLogP3
1.2
Consensus LogP
1.38
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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