CAS RN: 80259-08-1
4′-METHYL-3′-NITROMETHANESULFONANILIDE
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.20250827 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS80259-08-1
- Purity/Analytical Methods: >99.0%
80259-08-1 / N-(4-methyl-3-nitrophenyl)methanesulfonamide
Basic Information
CAS
80259-08-1
Multi CAS
No
Molecular Formula
C8H10N2O4S
Molecular Weight
230.240000
Exact Mass
230.036128
InChI
InChI=1S/C8H10N2O4S/c1-6-3-4-7(9-15(2,13)14)5-8(6)10(11)12/h3-5,9H,1-2H3
InChIKey
WZFHLQAYSGSNKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.3
TPSA
89.31
LogP / Solubility
WLOGP
1.27
MLOGP
1.13
XLogP3
1.4
Consensus LogP
1.27
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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