4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole
TL;DR: 4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole (CAS 2274-65-9) is a chemical compound with molecular formula C6HBr2N3O2S and molecular weight 336.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dibromo-5-nitro-2,1,3-benzothiadiazole
Also Known As: C6HBr2N3O2S, 4,7-dibromo-5-nitrobenzo[c][1,2,5]thiadiazole, 4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole, J3.150.039G, 2,1,3-Benzothiadiazole, 4,7-dibromo-5-nitro-
| Molecular Formula | C6HBr2N3O2S |
|---|---|
| Molecular Weight | 336.82 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 336.8156 |
| Heavy Atoms | 14 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 2274-65-9 |
|---|---|
| SMILES | C1=C(C2=NSN=C2C(=C1[N+](=O)[O-])Br)Br |
| InChIKey | CBQXUYLNDCIZDX-UHFFFAOYSA-N |
Product Overview
4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole (CAS 2274-65-9), with molecular formula C6HBr2N3O2S and molecular weight 336.82 g/mol. IUPAC: 4,7-dibromo-5-nitro-2,1,3-benzothiadiazole.
Chemical Property Profile of 4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole
Property Insights of 4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole
The XLogP value of 3.0 indicates that 4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole. Following Lipinski's Rule of Five, 4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole has 0 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 4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole?
The CAS number of 4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole is 2274-65-9.
What is the molecular formula of 4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole?
The molecular formula of 4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole is C6HBr2N3O2S.
What is the molecular weight of 4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole?
The molecular weight of 4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole is 336.82 g/mol.
Where can I buy 4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole?
You can request a quote for 4,7-Dibromo-5-nitro-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 4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Dibromo-5-nitro-2,1,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.