CAS RN: 51543-31-8
N1-methyl-N1-(5-methyl-3-isoxazolyl)sulfanilamide
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.20260325 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS51543-31-8
- Purity/Analytical Methods: >99.0%
51543-31-8 / 4-amino-N-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Basic Information
CAS
51543-31-8
Multi CAS
No
Molecular Formula
C11H13N3O3S
Molecular Weight
267.310000
Exact Mass
267.067762
InChI
InChI=1S/C11H13N3O3S/c1-8-7-11(13-17-8)14(2)18(15,16)10-5-3-9(12)4-6-10/h3-7H,12H2,1-2H3
InChIKey
JRNFDAGFYMJPGU-UHFFFAOYSA-N
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
1
Molar refractivity
67.68
TPSA
89.43
LogP / Solubility
WLOGP
1.39
MLOGP
1.23
XLogP3
1.1
Consensus LogP
1.24
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36
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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