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Methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether
TL;DR: Methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether (CAS 477845-90-2) is a chemical compound with molecular formula C16H14N2OS2 and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline
Also Known As: 10N-669S, 4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline, 4-[(3-methoxyphenyl)sulfanyl]-2-(methylsulfanyl)quinazoline, methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether
| Molecular Formula | C16H14N2OS2 |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 4.5115 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.05475 |
| Heavy Atoms | 21 |
| Complexity | 777.0718 |
Chemical Identifiers
| CAS Number | 477845-90-2 |
|---|---|
| SMILES | COC1=CC(=CC=C1)SC2=NC(=NC3=CC=CC=C32)SC |
Product Overview
Methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether (CAS 477845-90-2), with molecular formula C16H14N2OS2 and molecular weight 314.05 g/mol. IUPAC: 4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline.
Chemical Property Profile of Methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether
Property Insights of Methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether
The XLogP value of 4.5115 indicates that Methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, Methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether has 0 hydrogen bond donor(s) and 5 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 Methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether?
The CAS number of Methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether is 477845-90-2.
What is the molecular formula of Methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether?
The molecular formula of Methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether is C16H14N2OS2.
What is the molecular weight of Methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether?
The molecular weight of Methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether is 314.05 g/mol.
Where can I buy Methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether?
You can request a quote for Methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[2-(methylsulfanyl)-4-quinazolinyl]sulfanyl}phenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.