CAS RN: 222986-60-9
TERBUTHYLAZINE D5
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251218 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS222986-60-9
- Purity/Analytical Methods: >99.0%
222986-60-9 / 2-N-tert-butyl-6-chloro-4-N-(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine
Basic Information
CAS
222986-60-9
Multi CAS
No
Molecular Formula
C9H16ClN5
Molecular Weight
234.740000
Exact Mass
234.140807
SMILES
[2H]C([2H])([2H])C([2H])([2H])NC1=NC(=NC(=N1)Cl)NC(C)(C)C
InChI
InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)/i1D3,5D2
InChIKey
FZXISNSWEXTPMF-RPIBLTHZSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
62.38
TPSA
62.73
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
3.1
Consensus LogP
2.39
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly 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)
-2.58
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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