![3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide structure](/static/products/3301/330190-86-8.webp)
3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
TL;DR: 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide (CAS 330190-86-8) is a chemical compound with molecular formula C21H22N4O6S and molecular weight 458.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: ChemDiv1_002695, 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide, F0326-0749, 3,4,5-triethoxy-N-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)benzamide
| Molecular Formula | C21H22N4O6S |
|---|---|
| Molecular Weight | 458.13 g/mol |
| LogP | 4.5617 |
| Topological Polar Surface Area | 125.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 458.126 |
| Heavy Atoms | 32 |
| Complexity | 1090.1693 |
Chemical Identifiers
| CAS Number | 330190-86-8 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide (CAS 330190-86-8), with molecular formula C21H22N4O6S and molecular weight 458.13 g/mol. IUPAC: 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
Property Insights of 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
The XLogP value of 4.5617 indicates that 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide. Following Lipinski's Rule of Five, 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide has 1 hydrogen bond donor(s) and 9 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 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The CAS number of 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide is 330190-86-8.
What is the molecular formula of 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The molecular formula of 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide is C21H22N4O6S.
What is the molecular weight of 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The molecular weight of 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide is 458.13 g/mol.
Where can I buy 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
You can request a quote for 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-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 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-triethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.