N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
TL;DR: N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide (CAS 714916-83-3) is a chemical compound with molecular formula C13H8N4O4S and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Also Known As: N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide, N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide, N-[(2Z)-5-(furan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide
| Molecular Formula | C13H8N4O4S |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 2.9586 |
| Topological Polar Surface Area | 111.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0266 |
| Heavy Atoms | 22 |
| Complexity | 828.1999 |
Chemical Identifiers
| CAS Number | 714916-83-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NN=C(S2)C3=CC=CO3 |
Product Overview
N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide (CAS 714916-83-3), with molecular formula C13H8N4O4S and molecular weight 316.03 g/mol. IUPAC: N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide.
Chemical Property Profile of N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Property Insights of N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
The XLogP value of 2.9586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide. The TPSA of 111.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide has 1 hydrogen bond donor(s) and 7 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-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide?
The CAS number of N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide is 714916-83-3.
What is the molecular formula of N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide?
The molecular formula of N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide is C13H8N4O4S.
What is the molecular weight of N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide?
The molecular weight of N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide is 316.03 g/mol.
Where can I buy N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide?
You can request a quote for N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.