N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide
TL;DR: N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide (CAS 449190-29-8) is a chemical compound with molecular formula C22H24ClN3O4S and molecular weight 461.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide
Also Known As: N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide, N-[(2Z)-5-(4-chlorobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3,4,5-triethoxybenzamide, N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxy-benzamide, N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide
| Molecular Formula | C22H24ClN3O4S |
|---|---|
| Molecular Weight | 461.12 g/mol |
| LogP | 5.2307 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 461.1176 |
| Heavy Atoms | 31 |
| Complexity | 996.8455 |
Chemical Identifiers
| CAS Number | 449190-29-8 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)Cl |
Product Overview
N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide (CAS 449190-29-8), with molecular formula C22H24ClN3O4S and molecular weight 461.12 g/mol. IUPAC: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide.
Chemical Property Profile of N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide
Property Insights of N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide
The XLogP value of 5.2307 indicates that N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide 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-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide. Following Lipinski's Rule of Five, N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide?
The CAS number of N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide is 449190-29-8.
What is the molecular formula of N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide?
The molecular formula of N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide is C22H24ClN3O4S.
What is the molecular weight of N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide?
The molecular weight of N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide is 461.12 g/mol.
Where can I buy N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide?
You can request a quote for N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4,5-triethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.