2-benzyl-4-(3-chlorobenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
TL;DR: 2-benzyl-4-(3-chlorobenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide (CAS 941900-20-5) is a chemical compound with molecular formula C21H17ClN2O3S and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4-[(3-chlorophenyl)methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
Also Known As: 2-benzyl-4-[(3-chlorophenyl)methyl]-1,1-dioxo-1, F3165-0666, 2-benzyl-4-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione, 2-benzyl-4-(3-chlorobenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide, 2-benzyl-4-(3-chlorobenzyl)-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide
| Molecular Formula | C21H17ClN2O3S |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 4.6711 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.06485 |
| Heavy Atoms | 28 |
| Complexity | 1133.1523 |
Chemical Identifiers
| CAS Number | 941900-20-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC(=CC=C4)Cl |
Product Overview
2-benzyl-4-(3-chlorobenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide (CAS 941900-20-5), with molecular formula C21H17ClN2O3S and molecular weight 412.06 g/mol. IUPAC: 2-benzyl-4-[(3-chlorophenyl)methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one.
Chemical Property Profile of 2-benzyl-4-(3-chlorobenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
Property Insights of 2-benzyl-4-(3-chlorobenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
The XLogP value of 4.6711 indicates that 2-benzyl-4-(3-chlorobenzyl)-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, 2-benzyl-4-(3-chlorobenzyl)-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, 2-benzyl-4-(3-chlorobenzyl)-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 2-benzyl-4-(3-chlorobenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide?
The CAS number of 2-benzyl-4-(3-chlorobenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide is 941900-20-5.
What is the molecular formula of 2-benzyl-4-(3-chlorobenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide?
The molecular formula of 2-benzyl-4-(3-chlorobenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide is C21H17ClN2O3S.
What is the molecular weight of 2-benzyl-4-(3-chlorobenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide?
The molecular weight of 2-benzyl-4-(3-chlorobenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide is 412.06 g/mol.
Where can I buy 2-benzyl-4-(3-chlorobenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide?
You can request a quote for 2-benzyl-4-(3-chlorobenzyl)-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 2-benzyl-4-(3-chlorobenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-benzyl-4-(3-chlorobenzyl)-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.