![2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide structure](/static/products/6132/613227-67-1.webp)
2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
TL;DR: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide (CAS 613227-67-1) is a chemical compound with molecular formula C19H19N3O3S3 and molecular weight 433.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
Also Known As: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide, 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide, 2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N-(3,4-dimethoxyphenyl)acetamide, 2-{[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio}-N-(3,4-dimethoxyphenyl)acetamide, N-(3,4-dimethoxyphenyl)-2-[5-(phenylmethylthio)(1,3,4-thiadiazol-2-ylthio)]ace tamide
| Molecular Formula | C19H19N3O3S3 |
|---|---|
| Molecular Weight | 433.06 g/mol |
| LogP | 4.5784 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 433.05887 |
| Heavy Atoms | 28 |
| Complexity | 919.04224 |
Chemical Identifiers
| CAS Number | 613227-67-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3)OC |
Product Overview
2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide (CAS 613227-67-1), with molecular formula C19H19N3O3S3 and molecular weight 433.06 g/mol. IUPAC: 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide.
Chemical Property Profile of 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Property Insights of 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
The XLogP value of 4.5784 indicates that 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide 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 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide has 1 hydrogen bond donor(s) and 8 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 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide?
The CAS number of 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide is 613227-67-1.
What is the molecular formula of 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide?
The molecular formula of 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide is C19H19N3O3S3.
What is the molecular weight of 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide?
The molecular weight of 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide is 433.06 g/mol.
Where can I buy 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide?
You can request a quote for 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.