![1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one structure](/static/products/4225/422533-69-5.webp)
1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one
TL;DR: 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one (CAS 422533-69-5) is a chemical compound with molecular formula C26H25N3O5S and molecular weight 491.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxyphenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylethanone
Also Known As: 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one, F6548-4576, 1-(3,4-dihydroxyphenyl)-2-((4-((3,4-dimethoxyphenethyl)amino)quinazolin-2-yl)thio)ethanone, 1-(3,4-dihydroxyphenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylethanone, 1-(3,4-dihydroxyphenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanyl-ethanone
| Molecular Formula | C26H25N3O5S |
|---|---|
| Molecular Weight | 491.15 g/mol |
| LogP | 4.6878 |
| Topological Polar Surface Area | 113.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 491.1515 |
| Heavy Atoms | 35 |
| Complexity | 1362.4014 |
Chemical Identifiers
| CAS Number | 422533-69-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC(=C(C=C4)O)O)OC |
Product Overview
1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one (CAS 422533-69-5), with molecular formula C26H25N3O5S and molecular weight 491.15 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylethanone.
Chemical Property Profile of 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one
Property Insights of 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one
The XLogP value of 4.6878 indicates that 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one. Following Lipinski's Rule of Five, 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one has 3 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-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one?
The CAS number of 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one is 422533-69-5.
What is the molecular formula of 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one?
The molecular formula of 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one is C26H25N3O5S.
What is the molecular weight of 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one?
The molecular weight of 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one is 491.15 g/mol.
Where can I buy 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one?
You can request a quote for 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-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-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.