![CAS 1216997-87-3 2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline-D3 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1216997-87-3.gif)
CAS RN: 1216997-87-3
2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline-D3
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.20260301 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1216997-87-3
- Purity/Analytical Methods: >99.0%
1216997-87-3 / 4,8-dimethyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoxalin-2-amine
Basic Information
CAS
1216997-87-3
Multi CAS
No
Molecular Formula
C12H13N5
Molecular Weight
230.280000
Exact Mass
230.135926
SMILES
[2H]C([2H])([2H])N1C2=C(C3=NC(=CN=C3C=C2C)C)N=C1N
InChI
InChI=1S/C12H13N5/c1-6-4-8-9(15-7(2)5-14-8)10-11(6)17(3)12(13)16-10/h4-5H,1-3H3,(H2,13,16)/i3D3
InChIKey
LAZSIJHHPMHKQI-HPRDVNIFSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
13
Fraction Csp3
0.25
H-bond acceptors
5
H-bond donors
1
Molar refractivity
67.7
TPSA
69.62
LogP / Solubility
WLOGP
1.72
MLOGP
1.51
XLogP3
1.4
Consensus LogP
1.54
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzamide
- CAS RN: 1216997-96-4
- Product Code: starshine_CAS1216997-96-4
- Purity/Analytical method: >99.0%
-
-
N-Acetyl Amonafide-d6
- CAS RN: 1217018-31-9
- Product Code: starshine_CAS1217018-31-9
- Purity/Analytical method: >99.0%
-
PTC-209 (hydrobroMide)
- CAS RN: 1217022-63-3
- Product Code: starshine_CAS1217022-63-3
- Purity/Analytical method: >99.0%
-
-
CyclopropanaMine, 1-(3-chlorophenyl)-, hydrochloride
- CAS RN: 1217031-87-2
- Product Code: starshine_CAS1217031-87-2
- Purity/Analytical method: >99.0%
![CAS 1217002-90-8 5-BROMO-1H-PYRROLO[2,3-C]PYRIDIN-2(3H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1217002-90-8.gif)
