3,4,5-triethoxy-N-(5-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 3,4,5-triethoxy-N-(5-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)benzamide (CAS 862489-06-3) is a chemical compound with molecular formula C24H29N3O5S and molecular weight 471.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-triethoxy-N-[5-[(4-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: 3,4,5-triethoxy-N-[5-[(4-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide, 3,4,5-triethoxy-N-(5-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)benzamide, 3,4,5-triethoxy-N-[(2Z)-5-[(4-ethylphenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
| Molecular Formula | C24H29N3O5S |
|---|---|
| Molecular Weight | 471.18 g/mol |
| LogP | 5.1279 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 471.1828 |
| Heavy Atoms | 33 |
| Complexity | 1025.5033 |
Chemical Identifiers
| CAS Number | 862489-06-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC |
Product Overview
3,4,5-triethoxy-N-(5-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)benzamide (CAS 862489-06-3), with molecular formula C24H29N3O5S and molecular weight 471.18 g/mol. IUPAC: 3,4,5-triethoxy-N-[5-[(4-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 3,4,5-triethoxy-N-(5-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 3,4,5-triethoxy-N-(5-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 5.1279 indicates that 3,4,5-triethoxy-N-(5-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-triethoxy-N-(5-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 3,4,5-triethoxy-N-(5-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)benzamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4,5-triethoxy-N-(5-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 3,4,5-triethoxy-N-(5-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)benzamide is 862489-06-3.
What is the molecular formula of 3,4,5-triethoxy-N-(5-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 3,4,5-triethoxy-N-(5-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)benzamide is C24H29N3O5S.
What is the molecular weight of 3,4,5-triethoxy-N-(5-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 3,4,5-triethoxy-N-(5-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)benzamide is 471.18 g/mol.
Where can I buy 3,4,5-triethoxy-N-(5-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 3,4,5-triethoxy-N-(5-((4-ethylphenoxy)methyl)-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-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-triethoxy-N-(5-((4-ethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.