![3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-fluorophenyl)propanamide structure](/static/products/899/899757-32-5.png)
3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-fluorophenyl)propanamide
TL;DR: 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-fluorophenyl)propanamide (CAS 899757-32-5) is a chemical compound with molecular formula C16H13FN2O4S and molecular weight 348.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: AB00681380-01, F2749-0142, N-(4-fluorophenyl)-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamide, N-(4-fluorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-fluorophenyl)propanamide
| Molecular Formula | C16H13FN2O4S |
|---|---|
| Molecular Weight | 348.06 g/mol |
| LogP | 1.999 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.058 |
| Heavy Atoms | 24 |
| Complexity | 909.92957 |
Chemical Identifiers
| CAS Number | 899757-32-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=CC=C(C=C3)F |
Product Overview
3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-fluorophenyl)propanamide (CAS 899757-32-5), with molecular formula C16H13FN2O4S and molecular weight 348.06 g/mol. IUPAC: N-(4-fluorophenyl)-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-(4-fluorophenyl)propanamide
Property Insights of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-fluorophenyl)propanamide
The XLogP value of 1.999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-fluorophenyl)propanamide. 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-(4-fluorophenyl)propanamide. Following Lipinski's Rule of Five, 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-fluorophenyl)propanamide 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-(4-fluorophenyl)propanamide?
The CAS number of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-fluorophenyl)propanamide is 899757-32-5.
What is the molecular formula of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-fluorophenyl)propanamide?
The molecular formula of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-fluorophenyl)propanamide is C16H13FN2O4S.
What is the molecular weight of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-fluorophenyl)propanamide?
The molecular weight of 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-fluorophenyl)propanamide is 348.06 g/mol.
Where can I buy 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-fluorophenyl)propanamide?
You can request a quote for 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-fluorophenyl)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-(4-fluorophenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(4-fluorophenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.