CAS RN: 1020718-95-9
5-AMINO-6-METHYLAMINO-D3-QUINOLINE
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.20260123 | 20mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1020718-95-9
- Purity/Analytical Methods: >99.0%
1020718-95-9 / 6-N-(trideuteriomethyl)quinoline-5,6-diamine
5-Amino-6-(methylamino-d3)quinoline | 6-N-(trideuteriomethyl)quinoline-5,6-diamine | 5,6-Quinolinediamine, N6-(methyl-d3)-
Basic Information
CAS
1020718-95-9
Multi CAS
Yes
Molecular Formula
C10H11N3
Molecular Weight
176.230000
Exact Mass
176.114128
SMILES
[2H]C([2H])([2H])NC1=C(C2=C(C=C1)N=CC=C2)N
InChI
InChI=1S/C10H11N3/c1-12-9-5-4-8-7(10(9)11)3-2-6-13-8/h2-6,12H,11H2,1H3/i1D3
InChIKey
VKTBLHRTAVWXIJ-FIBGUPNXSA-N
Synonyms
5-Amino-6-(methylamino-d3)quinoline
6-N-(trideuteriomethyl)quinoline-5,6-diamine
5,6-Quinolinediamine, N6-(methyl-d3)-
N~6~-(~2~H_3_)Methylquinoline-5,6-diamine
DTXSID30675588
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.7
TPSA
50.94
LogP / Solubility
WLOGP
1.86
MLOGP
1.63
XLogP3
1.5
Consensus LogP
1.66
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately 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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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