4-Bromo-5-methyl-2,1,3-benzothiadiazole
TL;DR: 4-Bromo-5-methyl-2,1,3-benzothiadiazole (CAS 2255-81-4) 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-bromo-5-methyl-2,1,3-benzothiadiazole
Also Known As: 4-broMo-5-Methylbenzo[c][1,2,5]thiadiazole, 4-bromo-5-methyl-2,1,3-benzothiadiazole, 4-Brom-5-methyl-2,1,3-benzothiadiazol, 4-Bromo-5-methyl-benzo[1,2,5]thiadiazole, 4-bromo-5-methylbenzo[c]1,2,5-thiadiazole
| Molecular Formula | C7H5BrN2S |
|---|---|
| Molecular Weight | 227.94 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.93568 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 2255-81-4 |
|---|---|
| SMILES | CC1=C(C2=NSN=C2C=C1)Br |
| InChIKey | MVKNQPXDNRZEPN-UHFFFAOYSA-N |
Product Overview
4-Bromo-5-methyl-2,1,3-benzothiadiazole (CAS 2255-81-4), with molecular formula C7H5BrN2S and molecular weight 227.94 g/mol. IUPAC: 4-bromo-5-methyl-2,1,3-benzothiadiazole.
Chemical Property Profile of 4-Bromo-5-methyl-2,1,3-benzothiadiazole
Property Insights of 4-Bromo-5-methyl-2,1,3-benzothiadiazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-5-methyl-2,1,3-benzothiadiazole. With a topological polar surface area (TPSA) of 54.0 Ų, 4-Bromo-5-methyl-2,1,3-benzothiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-5-methyl-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-Bromo-5-methyl-2,1,3-benzothiadiazole?
The CAS number of 4-Bromo-5-methyl-2,1,3-benzothiadiazole is 2255-81-4.
What is the molecular formula of 4-Bromo-5-methyl-2,1,3-benzothiadiazole?
The molecular formula of 4-Bromo-5-methyl-2,1,3-benzothiadiazole is C7H5BrN2S.
What is the molecular weight of 4-Bromo-5-methyl-2,1,3-benzothiadiazole?
The molecular weight of 4-Bromo-5-methyl-2,1,3-benzothiadiazole is 227.94 g/mol.
Where can I buy 4-Bromo-5-methyl-2,1,3-benzothiadiazole?
You can request a quote for 4-Bromo-5-methyl-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-Bromo-5-methyl-2,1,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-5-methyl-2,1,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.