![N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide structure](/static/products/6001/600159-34-0.webp)
N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
TL;DR: N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide (CAS 600159-34-0) is a chemical compound with molecular formula C21H23N3O4S and molecular weight 413.14 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-phenoxybutanamide
Also Known As: BAS 06979564, N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide, N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide, N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-phenoxy-butyramide, N-{5-[(3,4-dimethoxyphenyl)methyl](1,3,4-thiadiazol-2-yl)}-2-phenoxybutanamide
| Molecular Formula | C21H23N3O4S |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 3.9422 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 413.14093 |
| Heavy Atoms | 29 |
| Complexity | 946.1091 |
Chemical Identifiers
| CAS Number | 600159-34-0 |
|---|---|
| SMILES | CCC(C(=O)NC1=NN=C(S1)CC2=CC(=C(C=C2)OC)OC)OC3=CC=CC=C3 |
Product Overview
N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide (CAS 600159-34-0), with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol. IUPAC: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide.
Chemical Property Profile of N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
Property Insights of N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
The XLogP value of 3.9422 indicates that N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide 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-phenoxybutanamide. Following Lipinski's Rule of Five, N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide 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-phenoxybutanamide?
The CAS number of N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide is 600159-34-0.
What is the molecular formula of N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide?
The molecular formula of N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide is C21H23N3O4S.
What is the molecular weight of N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide?
The molecular weight of N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide is 413.14 g/mol.
Where can I buy N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide?
You can request a quote for N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide 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-phenoxybutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.