![2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-bromophenol structure](/static/products/534/5346-65-6.png)
2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-bromophenol
TL;DR: 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-bromophenol (CAS 5346-65-6) is a chemical compound with molecular formula C13H8BrN3OS and molecular weight 332.96 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)-4-bromophenol
Also Known As: ChemDiv3_004652, IDI1_022562, 2-[(2,1,3-benzothiadiazol-4-ylimino)methyl]-4-bromophenol, AE-848/34780002, BRD-K16334815-001-01-3
| Molecular Formula | C13H8BrN3OS |
|---|---|
| Molecular Weight | 332.96 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.95715 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 5346-65-6 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)N=CC3=C(C=CC(=C3)Br)O |
| InChIKey | RNSDOVHJQGUZTR-UHFFFAOYSA-N |
Product Overview
2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-bromophenol (CAS 5346-65-6), with molecular formula C13H8BrN3OS and molecular weight 332.96 g/mol. IUPAC: 2-(2,1,3-benzothiadiazol-4-yliminomethyl)-4-bromophenol.
Chemical Property Profile of 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-bromophenol
Property Insights of 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-bromophenol
The XLogP value of 3.4 indicates that 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-bromophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-bromophenol. Following Lipinski's Rule of Five, 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-bromophenol 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]-4-bromophenol?
The CAS number of 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-bromophenol is 5346-65-6.
What is the molecular formula of 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-bromophenol?
The molecular formula of 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-bromophenol is C13H8BrN3OS.
What is the molecular weight of 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-bromophenol?
The molecular weight of 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-bromophenol is 332.96 g/mol.
Where can I buy 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-bromophenol?
You can request a quote for 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-bromophenol 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]-4-bromophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,1,3-Benzothiadiazol-4-ylimino)methyl]-4-bromophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.