Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate
TL;DR: Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate (CAS 102038-05-1) is a chemical compound with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(2-butylsulfanyl-4-oxoquinazolin-3-yl)phenyl]propanoate
Also Known As: Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate, Benzeneacetic acid, 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methyl-, methyl ester, methyl 2-[4-(2-butylsulfanyl-4-oxoquinazolin-3-yl)phenyl]propanoate, Methyl 2-{4-[2-(butylsulfanyl)-4-oxoquinazolin-3(4H)-yl]phenyl}propanoate, RefChem:324171
| Molecular Formula | C22H24N2O3S |
|---|---|
| Molecular Weight | 396.15 g/mol |
| LogP | 4.5544 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.15076 |
| Heavy Atoms | 28 |
| Complexity | 1028.1265 |
Chemical Identifiers
| CAS Number | 102038-05-1 |
|---|---|
| SMILES | CCCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(C)C(=O)OC |
Product Overview
Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate (CAS 102038-05-1), with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol. IUPAC: methyl 2-[4-(2-butylsulfanyl-4-oxoquinazolin-3-yl)phenyl]propanoate.
Chemical Property Profile of Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate
Property Insights of Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate
The XLogP value of 4.5544 indicates that Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate. Following Lipinski's Rule of Five, Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate 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 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate?
The CAS number of Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate is 102038-05-1.
What is the molecular formula of Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate?
The molecular formula of Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate is C22H24N2O3S.
What is the molecular weight of Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate?
The molecular weight of Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate is 396.15 g/mol.
Where can I buy Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate?
You can request a quote for Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-(butylthio)-4-oxo-3(4H)-quinazolinyl)-alpha-methylbenzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.