N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide
TL;DR: N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide (CAS 299929-04-7) is a chemical compound with molecular formula C13H7N5O5S and molecular weight 345.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide
Also Known As: BAS 00012608, N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide, N-(benzo[c][1,2,5]thiadiazol-5-yl)-3,5-dinitrobenzamide, N-Benzo[1,2,5]thiadiazol-5-yl-3,5-dinitro-benzamide
| Molecular Formula | C13H7N5O5S |
|---|---|
| Molecular Weight | 345.02 g/mol |
| LogP | 2.76 |
| Topological Polar Surface Area | 141.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.01678 |
| Heavy Atoms | 24 |
| Complexity | 953.5478 |
Chemical Identifiers
| CAS Number | 299929-04-7 |
|---|---|
| SMILES | C1=CC2=NSN=C2C=C1NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide (CAS 299929-04-7), with molecular formula C13H7N5O5S and molecular weight 345.02 g/mol. IUPAC: N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide.
Chemical Property Profile of N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide
Property Insights of N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide
The XLogP value of 2.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide. The TPSA of 141.16 Ų indicates high polarity, suggesting N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide has 1 hydrogen bond donor(s) and 8 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 N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide?
The CAS number of N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide is 299929-04-7.
What is the molecular formula of N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide?
The molecular formula of N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide is C13H7N5O5S.
What is the molecular weight of N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide?
The molecular weight of N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide is 345.02 g/mol.
Where can I buy N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide?
You can request a quote for N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,1,3-benzothiadiazol-5-yl)-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.