4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide
TL;DR: 4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide (CAS 127019-62-9) is a chemical compound with molecular formula C9H6N4O4S and molecular weight 266.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide
Also Known As: 4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide, AA-504/34969033, 4-nitro-N-(3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl)benzamide
| Molecular Formula | C9H6N4O4S |
|---|---|
| Molecular Weight | 266.01 g/mol |
| LogP | 0.9919 |
| Topological Polar Surface Area | 117.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.011 |
| Heavy Atoms | 18 |
| Complexity | 645.0873 |
Chemical Identifiers
| CAS Number | 127019-62-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=NC(=O)NS2)[N+](=O)[O-] |
Product Overview
4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide (CAS 127019-62-9), with molecular formula C9H6N4O4S and molecular weight 266.01 g/mol. IUPAC: 4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide.
Chemical Property Profile of 4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide
Property Insights of 4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide
The XLogP value of 0.9919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide. The TPSA of 117.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide. Following Lipinski's Rule of Five, 4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide has 2 hydrogen bond donor(s) and 6 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-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The CAS number of 4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide is 127019-62-9.
What is the molecular formula of 4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The molecular formula of 4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide is C9H6N4O4S.
What is the molecular weight of 4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
The molecular weight of 4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide is 266.01 g/mol.
Where can I buy 4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
You can request a quote for 4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.