![1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone structure](/static/products/499/499103-63-8.png)
1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone
TL;DR: 1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone (CAS 499103-63-8) is a chemical compound with molecular formula C20H20N2O4S3 and molecular weight 448.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
Also Known As: 1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone, 1-(3,4-dimethoxyphenyl)-2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)ethanone, 1-(3,4-dimethoxyphenyl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
| Molecular Formula | C20H20N2O4S3 |
|---|---|
| Molecular Weight | 448.06 g/mol |
| LogP | 4.8312 |
| Topological Polar Surface Area | 70.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 448.05853 |
| Heavy Atoms | 29 |
| Complexity | 960.6151 |
Chemical Identifiers
| CAS Number | 499103-63-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)C3=CC(=C(C=C3)OC)OC |
Product Overview
1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone (CAS 499103-63-8), with molecular formula C20H20N2O4S3 and molecular weight 448.06 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone
Property Insights of 1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone
The XLogP value of 4.8312 indicates that 1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone. Following Lipinski's Rule of Five, 1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone has 0 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 1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone?
The CAS number of 1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone is 499103-63-8.
What is the molecular formula of 1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone?
The molecular formula of 1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone is C20H20N2O4S3.
What is the molecular weight of 1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone?
The molecular weight of 1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone is 448.06 g/mol.
Where can I buy 1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone?
You can request a quote for 1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dimethoxyphenyl)-2-({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.