CAS RN: 1286538-12-2
4-amino-2,3,5,6-tetradeuterio-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250520 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1286538-12-2
- Purity/Analytical Methods: >99.0%
1286538-12-2 / 4-amino-2,3,5,6-tetradeuterio-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
Basic Information
CAS
1286538-12-2
Multi CAS
No
Molecular Formula
C11H12N4O3S
Molecular Weight
284.330000
Exact Mass
284.088118
SMILES
[2H]C1=C(C(=C(C(=C1N)[2H])[2H])S(=O)(=O)NC2=CC(=NC=N2)OC)[2H]
InChI
InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)/i2D,3D,4D,5D
InChIKey
WMPXPUYPYQKQCX-QFFDRWTDSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
70.25
TPSA
107.2
LogP / Solubility
WLOGP
0.87
MLOGP
0.77
XLogP3
0.8
Consensus LogP
0.81
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 1286692-89-4 ETHYL 6-BENZYL-2-OXA-6-AZASPIRO[3.4]OCTANE-8-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1286692-89-4.gif)
