4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
TL;DR: 4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide (CAS 895644-35-6) is a chemical compound with molecular formula C20H15ClN2O3S and molecular weight 398.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-chlorophenyl)methyl]-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one
Also Known As: 4-[(3-chlorophenyl)methyl]-1,1-dioxo-2-phenyl-1, 4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide, F1608-0442, 4-[(3-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione, 4-[(3-chlorophenyl)methyl]-1,1-dioxo-2-phenyl-1lambda6,2,4-benzothiadiazin-3-one
| Molecular Formula | C20H15ClN2O3S |
|---|---|
| Molecular Weight | 398.05 g/mol |
| LogP | 4.6755 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.0492 |
| Heavy Atoms | 27 |
| Complexity | 1116.8354 |
Chemical Identifiers
| CAS Number | 895644-35-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC(=CC=C4)Cl |
Product Overview
4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide (CAS 895644-35-6), with molecular formula C20H15ClN2O3S and molecular weight 398.05 g/mol. IUPAC: 4-[(3-chlorophenyl)methyl]-1,1-dioxo-2-phenyl-1λ6,2,4-benzothiadiazin-3-one.
Chemical Property Profile of 4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
Property Insights of 4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
The XLogP value of 4.6755 indicates that 4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, 4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide has 0 hydrogen bond donor(s) and 3 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 4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide?
The CAS number of 4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide is 895644-35-6.
What is the molecular formula of 4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide?
The molecular formula of 4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide is C20H15ClN2O3S.
What is the molecular weight of 4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide?
The molecular weight of 4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide is 398.05 g/mol.
Where can I buy 4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide?
You can request a quote for 4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-chlorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.