![CAS 1189458-14-7 2-AMino-3-Methyl-9H-pyrido[2,3-b]indole-d3 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62543161.gif)
CAS RN: 1189458-14-7
2-AMino-3-Methyl-9H-pyrido[2,3-b]indole-d3
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250418 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1189458-14-7
- Purity/Analytical Methods: >99.0%
1189458-14-7 / 3-(trideuteriomethyl)-9H-pyrido[2,3-b]indol-2-amine
2-Amino-3-methyl-9H-pyrido[2,3-b]indole-d3 | 3-(trideuteriomethyl)-9H-pyrido[2,3-b]indol-2-amine | 2-AMINO-3-METHYL-D3-9H-PYRIDO[2,3-B]INDOLE
Basic Information
CAS
1189458-14-7
Multi CAS
No
Molecular Formula
C12H11N3
Molecular Weight
200.250000
Exact Mass
200.114128
SMILES
[2H]C([2H])([2H])C1=CC2=C(NC3=CC=CC=C32)N=C1N
InChI
InChI=1S/C12H11N3/c1-7-6-9-8-4-2-3-5-10(8)14-12(9)15-11(7)13/h2-6H,1H3,(H3,13,14,15)/i1D3
InChIKey
IVLCGFRPPGNALI-FIBGUPNXSA-N
Synonyms
2-Amino-3-methyl-9H-pyrido[2,3-b]indole-d3
3-(trideuteriomethyl)-9H-pyrido[2,3-b]indol-2-amine
2-AMINO-3-METHYL-D3-9H-PYRIDO[2,3-B]INDOLE
2-Amino-3-methyl-a-carboline-d3; 3-Methyl-9H-1,9-diazafluoren-2-amine-d3
3-Methyl-9H-1,9-diazafluoren-2-amine-d3
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
13
Fraction Csp3
0.08
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.75
TPSA
54.7
LogP / Solubility
WLOGP
2.61
MLOGP
2.29
XLogP3
2.9
Consensus LogP
2.6
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.11
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)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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