4-(Bromomethyl)-2,1,3-benzothiadiazole
TL;DR: 4-(Bromomethyl)-2,1,3-benzothiadiazole (CAS 15936-06-8) is a chemical compound with molecular formula C7H5BrN2S and molecular weight 227.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(bromomethyl)-2,1,3-benzothiadiazole
Also Known As: 4-(bromomethyl)-2,1,3-benzothiadiazole, 4-(bromomethyl)benzo[c][1,2,5]thiadiazole, 4-Bromomethyl-2,1,3-benzothiadiazole, 4-bromomethyl-benzo[1,2,5]thiadiazole, 2,1,3-Benzothiadiazole, 4-(bromomethyl)-
| Molecular Formula | C7H5BrN2S |
|---|---|
| Molecular Weight | 227.94 g/mol |
| LogP | 2.5862 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.93568 |
| Heavy Atoms | 11 |
| Complexity | 371.233 |
Chemical Identifiers
| CAS Number | 15936-06-8 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)CBr |
Product Overview
4-(Bromomethyl)-2,1,3-benzothiadiazole (CAS 15936-06-8), with molecular formula C7H5BrN2S and molecular weight 227.94 g/mol. IUPAC: 4-(bromomethyl)-2,1,3-benzothiadiazole.
Chemical Property Profile of 4-(Bromomethyl)-2,1,3-benzothiadiazole
Property Insights of 4-(Bromomethyl)-2,1,3-benzothiadiazole
The XLogP value of 2.5862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Bromomethyl)-2,1,3-benzothiadiazole. With a topological polar surface area (TPSA) of 25.78 Ų, 4-(Bromomethyl)-2,1,3-benzothiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Bromomethyl)-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 4-(Bromomethyl)-2,1,3-benzothiadiazole?
The CAS number of 4-(Bromomethyl)-2,1,3-benzothiadiazole is 15936-06-8.
What is the molecular formula of 4-(Bromomethyl)-2,1,3-benzothiadiazole?
The molecular formula of 4-(Bromomethyl)-2,1,3-benzothiadiazole is C7H5BrN2S.
What is the molecular weight of 4-(Bromomethyl)-2,1,3-benzothiadiazole?
The molecular weight of 4-(Bromomethyl)-2,1,3-benzothiadiazole is 227.94 g/mol.
Where can I buy 4-(Bromomethyl)-2,1,3-benzothiadiazole?
You can request a quote for 4-(Bromomethyl)-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 4-(Bromomethyl)-2,1,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bromomethyl)-2,1,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.