![3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(isoxazol-3-yl)propanamide structure](/static/products/899/899996-40-8.png)
3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(isoxazol-3-yl)propanamide
TL;DR: 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(isoxazol-3-yl)propanamide (CAS 899996-40-8) is a chemical compound with molecular formula C13H11N3O5S and molecular weight 321.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,2-oxazol-3-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: VU0495841-1, AB00681395-01, F2749-0237, N-(1,2-oxazol-3-yl)-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamide, N-(1,2-oxazol-3-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
| Molecular Formula | C13H11N3O5S |
|---|---|
| Molecular Weight | 321.04 g/mol |
| LogP | 0.8479 |
| Topological Polar Surface Area | 109.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.04193 |
| Heavy Atoms | 22 |
| Complexity | 829.1203 |
Chemical Identifiers
| CAS Number | 899996-40-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=NOC=C3 |
Product Overview
3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(isoxazol-3-yl)propanamide (CAS 899996-40-8), with molecular formula C13H11N3O5S and molecular weight 321.04 g/mol. IUPAC: N-(1,2-oxazol-3-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-(isoxazol-3-yl)propanamide
Property Insights of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(isoxazol-3-yl)propanamide
The XLogP value of 0.8479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(isoxazol-3-yl)propanamide. The TPSA of 109.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(isoxazol-3-yl)propanamide. Following Lipinski's Rule of Five, 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(isoxazol-3-yl)propanamide has 1 hydrogen bond donor(s) and 6 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-(isoxazol-3-yl)propanamide?
The CAS number of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(isoxazol-3-yl)propanamide is 899996-40-8.
What is the molecular formula of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(isoxazol-3-yl)propanamide?
The molecular formula of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(isoxazol-3-yl)propanamide is C13H11N3O5S.
What is the molecular weight of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(isoxazol-3-yl)propanamide?
The molecular weight of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(isoxazol-3-yl)propanamide is 321.04 g/mol.
Where can I buy 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(isoxazol-3-yl)propanamide?
You can request a quote for 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(isoxazol-3-yl)propanamide 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-(isoxazol-3-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(isoxazol-3-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.