![4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide structure](/static/products/328/328561-01-9.png)
4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide
TL;DR: 4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide (CAS 328561-01-9) is a chemical compound with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: BAS 00704137, 4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide, A1838/0077395, 4-(tert-butyl)-N-(5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl)benzamide, 4-tert-butyl-N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
| Molecular Formula | C22H25N3O3S |
|---|---|
| Molecular Weight | 411.16 g/mol |
| LogP | 4.6959 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.16165 |
| Heavy Atoms | 29 |
| Complexity | 991.2822 |
Chemical Identifiers
| CAS Number | 328561-01-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC |
Product Overview
4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide (CAS 328561-01-9), with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol. IUPAC: 4-tert-butyl-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide
Property Insights of 4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide
The XLogP value of 4.6959 indicates that 4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide 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 4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide. Following Lipinski's Rule of Five, 4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide 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 4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide?
The CAS number of 4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide is 328561-01-9.
What is the molecular formula of 4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide?
The molecular formula of 4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide is C22H25N3O3S.
What is the molecular weight of 4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide?
The molecular weight of 4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide is 411.16 g/mol.
Where can I buy 4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide?
You can request a quote for 4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-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 4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.