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CAS 1020719-82-7 Sulfamethazine-D4 molecular structure lightbox
CAS RN: 1020719-82-7

Sulfamethazine-D4

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Batchno.20250917 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1020719-82-7
  • Purity/Analytical Methods: >99.0%
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1020719-82-7 / 4-amino-2,3,5,6-tetradeuterio-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

sulfamethazine | Sulfadimidine | Sulfadimerazine

Standard CAS: 1020719-82-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1020719-82-7
Multi CAS
Yes
Molecular Formula
C12H14N4O2S
Molecular Weight
282.360000
Exact Mass
282.108854
SMILES
[2H]C1=C(C(=C(C(=C1N)[2H])[2H])S(=O)(=O)NC2=NC(=CC(=N2)C)C)[2H]
InChI
InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)/i3D,4D,5D,6D
InChIKey
ASWVTGNCAZCNNR-LNFUJOGGSA-N
Synonyms
sulfamethazine Sulfadimidine Sulfadimerazine Sulphamethazine Sulfamezathine

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
73.17
TPSA
97.97

LogP / Solubility

WLOGP
1.48
MLOGP
1.31
XLogP3
0.3
Consensus LogP
1.03
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37

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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