N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide
TL;DR: N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide (CAS 714291-92-6) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methylphenoxy)acetamide
Also Known As: N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide, N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methylphenoxy)acetamide, N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(2-methylphenoxy)acetamide
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 3.47202 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 958.1288 |
Chemical Identifiers
| CAS Number | 714291-92-6 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC |
Product Overview
N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide (CAS 714291-92-6), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methylphenoxy)acetamide.
Chemical Property Profile of N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide
Property Insights of N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide
The XLogP value of 3.47202 indicates that N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.57 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide. Following Lipinski's Rule of Five, N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide has 1 hydrogen bond donor(s) and 7 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 N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide?
The CAS number of N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide is 714291-92-6.
What is the molecular formula of N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide?
The molecular formula of N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide is C20H21N3O4S.
What is the molecular weight of N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide?
The molecular weight of N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide is 399.13 g/mol.
Where can I buy N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide?
You can request a quote for N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)-2-(o-tolyloxy)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.