CAS RN: 23256-23-7
sulfatroxazole
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS23256-23-7
- Purity/Analytical Methods: >99.0%
23256-23-7 / 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
Basic Information
CAS
23256-23-7
Multi CAS
No
Molecular Formula
C11H13N3O3S
Molecular Weight
267.310000
Exact Mass
267.067762
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H13N3O3S/c1-7-8(2)17-13-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)
InChIKey
DAUFGBIKKGOPJA-UHFFFAOYSA-N
Physical Properties
Melting Point
383 to 388 °F (NTP, 1992)
194 °C
MP: 191 °C
MP: 195-198 °C
Physical Description
Sulfisoxazole is an odorless white to yellowish crystalline powder. Slightly bitter taste. Acid to litmus. (NTP, 1992)
Solid
Appearance
Colorless prisms
White to slightly yellowish crystalline powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
67.64
TPSA
98.22
LogP / Solubility
WLOGP
1.67
MLOGP
1.48
XLogP3
1
Consensus LogP
1.38
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16
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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