5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide
TL;DR: 5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide (CAS 6059-27-4) is a chemical compound with molecular formula C30H26BrCl2FN2O5 and molecular weight 662.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(5-bromo-2-hydroxyphenyl)-2-tert-butyl-6a,9a-dichloro-8-(4-fluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Also Known As: DAP1_006085, 5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide, 6-(5-bromo-2-hydroxyphenyl)-2-tert-butyl-6a,9a-dichloro-8-(4-fluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone, 6-(5-Bromo-2-hydroxyphenyl)-2-tert-butyl-6a,9a-dichloro-8-(4-fluorophenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
| Molecular Formula | C30H26BrCl2FN2O5 |
|---|---|
| Molecular Weight | 662.04 g/mol |
| LogP | 5.6557 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 662.03864 |
| Heavy Atoms | 41 |
| Complexity | 1573.4441 |
Chemical Identifiers
| CAS Number | 6059-27-4 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C2CC=C3C(C2C1=O)CC4(C(=O)N(C(=O)C4(C3C5=C(C=CC(=C5)Br)O)Cl)C6=CC=C(C=C6)F)Cl |
Product Overview
5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide (CAS 6059-27-4), with molecular formula C30H26BrCl2FN2O5 and molecular weight 662.04 g/mol. IUPAC: 6-(5-bromo-2-hydroxyphenyl)-2-tert-butyl-6a,9a-dichloro-8-(4-fluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone.
Chemical Property Profile of 5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide
Property Insights of 5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide
The XLogP value of 5.6557 indicates that 5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide. Following Lipinski's Rule of Five, 5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide?
The CAS number of 5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide is 6059-27-4.
What is the molecular formula of 5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide?
The molecular formula of 5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide is C30H26BrCl2FN2O5.
What is the molecular weight of 5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide?
The molecular weight of 5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide is 662.04 g/mol.
Where can I buy 5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide?
You can request a quote for 5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-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 5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dichloro-3-Methyl-2H-1,2,4-Benzothiadiazine-1,1-Dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.