4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 104830-76-4) is a chemical compound with molecular formula C15H10N4O3S and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
Also Known As: 4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide, BAS 00680334, 4-Nitro-N-(5-phenyl-[1,3,4]thiadiazol-2-yl)-benzamide, A0548/0025320, (4-nitrophenyl)-N-(5-phenyl(1,3,4-thiadiazol-2-yl))carboxamide
| Molecular Formula | C15H10N4O3S |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 3.3656 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.04736 |
| Heavy Atoms | 23 |
| Complexity | 846.6733 |
Chemical Identifiers
| CAS Number | 104830-76-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 104830-76-4), with molecular formula C15H10N4O3S and molecular weight 326.05 g/mol. IUPAC: 4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.
Chemical Property Profile of 4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 3.3656 indicates that 4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide has 1 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-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is 104830-76-4.
What is the molecular formula of 4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is C15H10N4O3S.
What is the molecular weight of 4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is 326.05 g/mol.
Where can I buy 4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-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-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.