![3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one structure](/static/products/3611/361158-72-7.webp)
3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one
TL;DR: 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one (CAS 361158-72-7) is a chemical compound with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: starbld0018712, 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one, 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one, 3-(3,4-Dimethoxyphenethyl)-2-mercaptoquinazolin-4(3H)-one, 3-(3,4-dimethoxyphenethyl)-2-sulfanyl-4(3H)-quinazolinone
| Molecular Formula | C18H18N2O3S |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 3.31899 |
| Topological Polar Surface Area | 56.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.10382 |
| Heavy Atoms | 24 |
| Complexity | 991.4558 |
Chemical Identifiers
| CAS Number | 361158-72-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3NC2=S)OC |
Product Overview
3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one (CAS 361158-72-7), with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one
Property Insights of 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one
The XLogP value of 3.31899 indicates that 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.25 Ų, 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-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 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one?
The CAS number of 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one is 361158-72-7.
What is the molecular formula of 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one?
The molecular formula of 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one is C18H18N2O3S.
What is the molecular weight of 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one?
The molecular weight of 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one is 342.10 g/mol.
Where can I buy 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one?
You can request a quote for 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-mercapto-3H-quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.