3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide
TL;DR: 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide (CAS 663168-48-7) is a chemical compound with molecular formula C14H18N2O4S and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylpropyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: ChemDiv3_005520, IDI1_023430, 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide, AP-853/41872908, N-(2-methylpropyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
| Molecular Formula | C14H18N2O4S |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 0.9934 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.09872 |
| Heavy Atoms | 21 |
| Complexity | 667.3065 |
Chemical Identifiers
| CAS Number | 663168-48-7 |
|---|---|
| SMILES | CC(C)CNC(=O)CCN1C(=O)C2=CC=CC=C2S1(=O)=O |
Product Overview
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide (CAS 663168-48-7), with molecular formula C14H18N2O4S and molecular weight 310.10 g/mol. IUPAC: N-(2-methylpropyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide
Property Insights of 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide
The XLogP value of 0.9934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide. Following Lipinski's Rule of Five, 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide?
The CAS number of 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide is 663168-48-7.
What is the molecular formula of 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide?
The molecular formula of 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide is C14H18N2O4S.
What is the molecular weight of 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide?
The molecular weight of 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide is 310.10 g/mol.
Where can I buy 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide?
You can request a quote for 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-isobutylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.