![2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol structure](/static/products/5576/5576-30-7.webp)
2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol
TL;DR: 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol (CAS 5576-30-7) is a chemical compound with molecular formula C13H7BrClN3OS and molecular weight 366.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,1,3-benzothiadiazol-4-yliminomethyl)-6-bromo-4-chlorophenol
Also Known As: BIM-0025283.P001, AE-848/11486026, 2-[(2,1,3-benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol, 2-(2,1,3-Benzothiadiazol-4-yliminomethyl)-6-bromo-4-chlorophenol, 6-[(2,1,3-benzothiadiazol-4-ylamino)methylidene]-2-bromo-4-chlorocyclohexa-2,4-dien-1-one
| Molecular Formula | C13H7BrClN3OS |
|---|---|
| Molecular Weight | 366.92 g/mol |
| LogP | 4.5634 |
| Topological Polar Surface Area | 58.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.91818 |
| Heavy Atoms | 20 |
| Complexity | 818.4815 |
Chemical Identifiers
| CAS Number | 5576-30-7 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)N=CC3=C(C(=CC(=C3)Cl)Br)O |
Product Overview
2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol (CAS 5576-30-7), with molecular formula C13H7BrClN3OS and molecular weight 366.92 g/mol. IUPAC: 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-6-bromo-4-chlorophenol.
Chemical Property Profile of 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol
Property Insights of 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol
The XLogP value of 4.5634 indicates that 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.37 Ų, 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol 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 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol?
The CAS number of 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol is 5576-30-7.
What is the molecular formula of 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol?
The molecular formula of 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol is C13H7BrClN3OS.
What is the molecular weight of 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol?
The molecular weight of 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol is 366.92 g/mol.
Where can I buy 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol?
You can request a quote for 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-6-bromo-4-chlorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.