5-(Bromomethyl)-6-chloro-2,1,3-benzothiadiazole
TL;DR: 5-(Bromomethyl)-6-chloro-2,1,3-benzothiadiazole (CAS 65858-51-7) is a chemical compound with molecular formula C7H4BrClN2S and molecular weight 261.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(bromomethyl)-5-chloro-2,1,3-benzothiadiazole
Also Known As: 5-(bromomethyl)-6-chloro-2,1,3-benzothiadiazole, 6-(bromomethyl)-5-chloro-2,1,3-benzothiadiazole, 5-(Bromomethyl)-6-chlorobenzo[c][1,2,5]thiadiazole, 2,1,3-Benzothiadiazole,5-(bromomethyl)-6-chloro-, 5-(bromomethyl)-6-chlorobenzo[c]1,2,5-thiadiazole
| Molecular Formula | C7H4BrClN2S |
|---|---|
| Molecular Weight | 261.90 g/mol |
| LogP | 3.2396 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.8967 |
| Heavy Atoms | 12 |
| Complexity | 414.6986 |
Chemical Identifiers
| CAS Number | 65858-51-7 |
|---|---|
| SMILES | C1=C(C(=CC2=NSN=C21)Cl)CBr |
Product Overview
5-(Bromomethyl)-6-chloro-2,1,3-benzothiadiazole (CAS 65858-51-7), with molecular formula C7H4BrClN2S and molecular weight 261.90 g/mol. IUPAC: 6-(bromomethyl)-5-chloro-2,1,3-benzothiadiazole.
Chemical Property Profile of 5-(Bromomethyl)-6-chloro-2,1,3-benzothiadiazole
Property Insights of 5-(Bromomethyl)-6-chloro-2,1,3-benzothiadiazole
The XLogP value of 3.2396 indicates that 5-(Bromomethyl)-6-chloro-2,1,3-benzothiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 5-(Bromomethyl)-6-chloro-2,1,3-benzothiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Bromomethyl)-6-chloro-2,1,3-benzothiadiazole 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 5-(Bromomethyl)-6-chloro-2,1,3-benzothiadiazole?
The CAS number of 5-(Bromomethyl)-6-chloro-2,1,3-benzothiadiazole is 65858-51-7.
What is the molecular formula of 5-(Bromomethyl)-6-chloro-2,1,3-benzothiadiazole?
The molecular formula of 5-(Bromomethyl)-6-chloro-2,1,3-benzothiadiazole is C7H4BrClN2S.
What is the molecular weight of 5-(Bromomethyl)-6-chloro-2,1,3-benzothiadiazole?
The molecular weight of 5-(Bromomethyl)-6-chloro-2,1,3-benzothiadiazole is 261.90 g/mol.
Where can I buy 5-(Bromomethyl)-6-chloro-2,1,3-benzothiadiazole?
You can request a quote for 5-(Bromomethyl)-6-chloro-2,1,3-benzothiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Bromomethyl)-6-chloro-2,1,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Bromomethyl)-6-chloro-2,1,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.