4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 768290-83-1) is a chemical compound with molecular formula C19H18N4O5S and molecular weight 414.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxy-2-nitro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide, 4,5-dimethoxy-2-nitro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide, (4,5-dimethoxy-2-nitrophenyl)-N-[5-(2-phenylethyl)(1,3,4-thiadiazol-2-yl)]carb oxamide
| Molecular Formula | C19H18N4O5S |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 3.501 |
| Topological Polar Surface Area | 116.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.0998 |
| Heavy Atoms | 29 |
| Complexity | 1022.6939 |
Chemical Identifiers
| CAS Number | 768290-83-1 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)CCC3=CC=CC=C3)[N+](=O)[O-])OC |
Product Overview
4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 768290-83-1), with molecular formula C19H18N4O5S and molecular weight 414.10 g/mol. IUPAC: 4,5-dimethoxy-2-nitro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 3.501 indicates that 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide has 1 hydrogen bond donor(s) and 8 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 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide is 768290-83-1.
What is the molecular formula of 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide is C19H18N4O5S.
What is the molecular weight of 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide is 414.10 g/mol.
Where can I buy 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 4,5-dimethoxy-2-nitro-N-(5-phenethyl-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 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4,5-dimethoxy-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.