4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 321690-12-4) is a chemical compound with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
Also Known As: BAS 00321575, 4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide, 4-Nitro-N-(5-propyl-[1,3,4]thiadiazol-2-yl)-benzamide, (4-nitrophenyl)-N-(5-propyl(1,3,4-thiadiazol-2-yl))carboxamide, 4-nitro-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
| Molecular Formula | C12H12N4O3S |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 2.6511 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.06302 |
| Heavy Atoms | 20 |
| Complexity | 623.8876 |
Chemical Identifiers
| CAS Number | 321690-12-4 |
|---|---|
| SMILES | CCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 321690-12-4), with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol. IUPAC: 4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.
Chemical Property Profile of 4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 2.6511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 4-nitro-N-(5-propyl-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-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is 321690-12-4.
What is the molecular formula of 4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is C12H12N4O3S.
What is the molecular weight of 4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is 292.06 g/mol.
Where can I buy 4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 4-nitro-N-(5-propyl-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-propyl-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.