![N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide structure](/static/products/899/899954-50-8.png)
N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide
TL;DR: N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide (CAS 899954-50-8) is a chemical compound with molecular formula C17H15ClN2O4S and molecular weight 378.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: VU0495790-1, N-[(2-chlorophenyl)methyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide, N-[(2-chlorophenyl)methyl]-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamide, 2-(2-{[(o-chlorophenyl)methyl]carbamoyl}ethyl)-1-oxo-3-oxo-2,3-dihydro-1H-1lambda,2-benzisothiazol-1-ium-1-olate
| Molecular Formula | C17H15ClN2O4S |
|---|---|
| Molecular Weight | 378.04 g/mol |
| LogP | 2.191 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.0441 |
| Heavy Atoms | 25 |
| Complexity | 943.16895 |
Chemical Identifiers
| CAS Number | 899954-50-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O)Cl |
Product Overview
N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide (CAS 899954-50-8), with molecular formula C17H15ClN2O4S and molecular weight 378.04 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide
Property Insights of N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide
The XLogP value of 2.191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide. Following Lipinski's Rule of Five, N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)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 N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide?
The CAS number of N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide is 899954-50-8.
What is the molecular formula of N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide?
The molecular formula of N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide is C17H15ClN2O4S.
What is the molecular weight of N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide?
The molecular weight of N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide is 378.04 g/mol.
Where can I buy N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide?
You can request a quote for N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chlorobenzyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.