![3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide structure](/static/products/899/899954-46-2.png)
3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide
TL;DR: 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide (CAS 899954-46-2) is a chemical compound with molecular formula C13H16N2O4S and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-propan-2-yl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: VU0495788-1, F2749-0064, N-propan-2-yl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide
| Molecular Formula | C13H16N2O4S |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 0.7458 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.08307 |
| Heavy Atoms | 20 |
| Complexity | 652.0899 |
Chemical Identifiers
| CAS Number | 899954-46-2 |
|---|---|
| SMILES | CC(C)NC(=O)CCN1C(=O)C2=CC=CC=C2S1(=O)=O |
Product Overview
3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide (CAS 899954-46-2), with molecular formula C13H16N2O4S and molecular weight 296.08 g/mol. IUPAC: N-propan-2-yl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide
Property Insights of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide
The XLogP value of 0.7458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide. Following Lipinski's Rule of Five, 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide 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-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide?
The CAS number of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide is 899954-46-2.
What is the molecular formula of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide?
The molecular formula of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide is C13H16N2O4S.
What is the molecular weight of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide?
The molecular weight of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide is 296.08 g/mol.
Where can I buy 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide?
You can request a quote for 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide 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-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-isopropylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.