CAS RN: 73068-02-7
Sulfadimethoxine-d6
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS73068-02-7
- Purity/Analytical Methods: >99.0%
73068-02-7 / 4-amino-N-[2,6-bis(trideuteriomethoxy)pyrimidin-4-yl]benzenesulfonamide
Basic Information
CAS
73068-02-7
Multi CAS
No
Molecular Formula
C12H14N4O4S
Molecular Weight
316.370000
Exact Mass
316.111237
InChI
InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)/i1D3,2D3
InChIKey
ZZORFUFYDOWNEF-WFGJKAKNSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
76.8
TPSA
116.43
LogP / Solubility
WLOGP
0.88
MLOGP
0.78
XLogP3
1.6
Consensus LogP
1.09
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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