N-(5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide
TL;DR: N-(5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide (CAS 461015-22-5) is a chemical compound with molecular formula C20H21N3O6S and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
Also Known As: N-(5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide, N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxy-benzamide, N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide, N-[(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3,4,5-trimethoxybenzamide
| Molecular Formula | C20H21N3O6S |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 3.5004 |
| Topological Polar Surface Area | 101.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.1151 |
| Heavy Atoms | 30 |
| Complexity | 1027.7662 |
Chemical Identifiers
| CAS Number | 461015-22-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)OC |
Product Overview
N-(5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide (CAS 461015-22-5), with molecular formula C20H21N3O6S and molecular weight 431.12 g/mol. IUPAC: N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-(5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide
Property Insights of N-(5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide
The XLogP value of 3.5004 indicates that N-(5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.03 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-(5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide has 1 hydrogen bond donor(s) and 9 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-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide?
The CAS number of N-(5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide is 461015-22-5.
What is the molecular formula of N-(5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide?
The molecular formula of N-(5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide is C20H21N3O6S.
What is the molecular weight of N-(5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide?
The molecular weight of N-(5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide is 431.12 g/mol.
Where can I buy N-(5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide?
You can request a quote for N-(5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide 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-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.