N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide
TL;DR: N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide (CAS 448940-69-0) is a chemical compound with molecular formula C18H16ClN3O3S and molecular weight 389.06 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-dimethoxybenzamide
Also Known As: N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide, N-[(2Z)-5-(4-chlorobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3,4-dimethoxybenzamide, N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
| Molecular Formula | C18H16ClN3O3S |
|---|---|
| Molecular Weight | 389.06 g/mol |
| LogP | 4.0518 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.0601 |
| Heavy Atoms | 26 |
| Complexity | 912.29974 |
Chemical Identifiers
| CAS Number | 448940-69-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)Cl)OC |
Product Overview
N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide (CAS 448940-69-0), with molecular formula C18H16ClN3O3S and molecular weight 389.06 g/mol. IUPAC: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide.
Chemical Property Profile of N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide
Property Insights of N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide
The XLogP value of 4.0518 indicates that N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide. Following Lipinski's Rule of Five, N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide has 1 hydrogen bond donor(s) and 6 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-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide?
The CAS number of N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide is 448940-69-0.
What is the molecular formula of N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide?
The molecular formula of N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide is C18H16ClN3O3S.
What is the molecular weight of N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide?
The molecular weight of N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide is 389.06 g/mol.
Where can I buy N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide?
You can request a quote for N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide 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-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.