CAS RN: 208107-14-6
TEMOZOLOMIDE-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.20251125 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS208107-14-6
- Purity/Analytical Methods: >99.0%
208107-14-6 / 4-oxo-3-(trideuteriomethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Basic Information
CAS
208107-14-6
Multi CAS
No
Molecular Formula
C6H6N6O2
Molecular Weight
197.170000
Exact Mass
197.074054
SMILES
[2H]C([2H])([2H])N1C(=O)N2C=NC(=C2N=N1)C(=O)N
InChI
InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)/i1D3
InChIKey
BPEGJWRSRHCHSN-FIBGUPNXSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
1
Molar refractivity
44.54
TPSA
108.17
LogP / Solubility
WLOGP
-2.08
MLOGP
-1.83
XLogP3
-1.1
Consensus LogP
-1.67
Log S (ESOL)
-0.14
Class (ESOL)
Very soluble
Log S (Ali)
0.35
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.68
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.38
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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