3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methoxyphenyl)propanamide
TL;DR: 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methoxyphenyl)propanamide (CAS 663167-91-7) is a chemical compound with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methoxyphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: CBKinase1_003868, CBKinase1_016268, 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methoxyphenyl)propanamide, VU0162081-4, AP-853/41872966
| Molecular Formula | C17H16N2O5S |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 1.8685 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.078 |
| Heavy Atoms | 25 |
| Complexity | 939.5593 |
Chemical Identifiers
| CAS Number | 663167-91-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methoxyphenyl)propanamide (CAS 663167-91-7), with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol. IUPAC: N-(3-methoxyphenyl)-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-(3-methoxyphenyl)propanamide
Property Insights of 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methoxyphenyl)propanamide
The XLogP value of 1.8685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methoxyphenyl)propanamide. The TPSA of 92.78 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-(3-methoxyphenyl)propanamide. Following Lipinski's Rule of Five, 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methoxyphenyl)propanamide has 1 hydrogen bond donor(s) and 5 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-(3-methoxyphenyl)propanamide?
The CAS number of 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methoxyphenyl)propanamide is 663167-91-7.
What is the molecular formula of 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methoxyphenyl)propanamide?
The molecular formula of 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methoxyphenyl)propanamide is C17H16N2O5S.
What is the molecular weight of 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methoxyphenyl)propanamide?
The molecular weight of 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methoxyphenyl)propanamide is 360.08 g/mol.
Where can I buy 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methoxyphenyl)propanamide?
You can request a quote for 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methoxyphenyl)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-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methoxyphenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methoxyphenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.