![7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole structure](/static/products/3420/342013-72-3.webp)
7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole
TL;DR: 7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole (CAS 342013-72-3) is a chemical compound with molecular formula C8H5ClN4S and molecular weight 223.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(chloromethyl)-3H-imidazo[4,5-e][2,1,3]benzothiadiazole
Also Known As: 7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole, AN-023/13584037, 7-(chloromethyl)-3H-imidazo[4,5-e][2,1,3]benzothiadiazole, 7-(chloromethyl)-1,2,5-thiadiazolo[3,4-g]benzimidazole, 7-(Chloromethyl)-8H-imidazo[4',5':3,4]benzo[1,2-c][1,2,5]thiadiazole
| Molecular Formula | C8H5ClN4S |
|---|---|
| Molecular Weight | 223.99 g/mol |
| LogP | 2.3064 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.99234 |
| Heavy Atoms | 14 |
| Complexity | 599.45874 |
Chemical Identifiers
| CAS Number | 342013-72-3 |
|---|---|
| SMILES | C1=C2C(=NSN2)C3=NC(=NC3=C1)CCl |
Product Overview
7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole (CAS 342013-72-3), with molecular formula C8H5ClN4S and molecular weight 223.99 g/mol. IUPAC: 7-(chloromethyl)-3H-imidazo[4,5-e][2,1,3]benzothiadiazole.
Chemical Property Profile of 7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole
Property Insights of 7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole
The XLogP value of 2.3064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole. With a topological polar surface area (TPSA) of 54.46 Ų, 7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole has 1 hydrogen bond donor(s) and 4 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 7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole?
The CAS number of 7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole is 342013-72-3.
What is the molecular formula of 7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole?
The molecular formula of 7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole is C8H5ClN4S.
What is the molecular weight of 7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole?
The molecular weight of 7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole is 223.99 g/mol.
Where can I buy 7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole?
You can request a quote for 7-(chloromethyl)-8H-imidazo[4,5-e][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 7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 7-(chloromethyl)-8H-imidazo[4,5-e][2,1,3]benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.