CAS RN: 1216649-31-8
DESETHYLATRAZINE-D7
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.20260404 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1216649-31-8
- Purity/Analytical Methods: >99.0%
1216649-31-8 / 6-chloro-2-N-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1,3,5-triazine-2,4-diamine
Basic Information
CAS
1216649-31-8
Multi CAS
No
Molecular Formula
C6H10ClN5
Molecular Weight
194.670000
Exact Mass
194.106410
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC1=NC(=NC(=N1)N)Cl
InChI
InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)/i1D3,2D3,3D
InChIKey
DFWFIQKMSFGDCQ-YYWVXINBSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
48.01
TPSA
76.72
LogP / Solubility
WLOGP
0.93
MLOGP
0.81
XLogP3
1.5
Consensus LogP
1.08
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21
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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