CAS RN: 1303968-47-9
Pyridine-2-sulfonic acid isopropylaMide
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.20250830 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1303968-47-9
- Purity/Analytical Methods: >99.0%
1303968-47-9 / N-propan-2-ylpyridine-2-sulfonamide
Basic Information
CAS
1303968-47-9
Multi CAS
No
Molecular Formula
C8H12N2O2S
Molecular Weight
200.260000
Exact Mass
200.061949
SMILES
CC(C)NS(=O)(=O)C1=CC=CC=N1
InChI
InChI=1S/C8H12N2O2S/c1-7(2)10-13(11,12)8-5-3-4-6-9-8/h3-7,10H,1-2H3
InChIKey
OBZIICMRBTWGCN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.69
TPSA
59.06
LogP / Solubility
WLOGP
0.77
MLOGP
0.68
XLogP3
0.9
Consensus LogP
0.78
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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