1-(3,4-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one
TL;DR: 1-(3,4-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one (CAS 832738-19-9) is a chemical compound with molecular formula C15H20N2O3S and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-diethoxyphenyl)ethyl]-2-sulfanylideneimidazolidin-4-one
Also Known As: 1-(3,4-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one, 3-[2-(3,4-diethoxyphenyl)ethyl]-2-thioxoimidazolidin-4-one, 3-[2-(3,4-diethoxyphenyl)ethyl]-2-sulfanylideneimidazolidin-4-one, 3-(3,4-Diethoxyphenethyl)-2-thioxoimidazolidin-4-one, 4-imidazolidinone, 3-[2-(3,4-diethoxyphenyl)ethyl]-2-thioxo-
| Molecular Formula | C15H20N2O3S |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 1.7432 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.11948 |
| Heavy Atoms | 21 |
| Complexity | 517.6501 |
Chemical Identifiers
| CAS Number | 832738-19-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CCN2C(=O)CNC2=S)OCC |
Product Overview
1-(3,4-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one (CAS 832738-19-9), with molecular formula C15H20N2O3S and molecular weight 308.12 g/mol. IUPAC: 3-[2-(3,4-diethoxyphenyl)ethyl]-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 1-(3,4-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one
Property Insights of 1-(3,4-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one
The XLogP value of 1.7432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one. With a topological polar surface area (TPSA) of 50.8 Ų, 1-(3,4-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one has 1 hydrogen bond donor(s) and 4 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-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one?
The CAS number of 1-(3,4-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one is 832738-19-9.
What is the molecular formula of 1-(3,4-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one?
The molecular formula of 1-(3,4-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one is C15H20N2O3S.
What is the molecular weight of 1-(3,4-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one?
The molecular weight of 1-(3,4-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one is 308.12 g/mol.
Where can I buy 1-(3,4-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one?
You can request a quote for 1-(3,4-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one 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-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Diethoxyphenethyl)-2-mercapto-1H-imidazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.