Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester
TL;DR: Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester (CAS 102037-98-9) is a chemical compound with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)phenyl]acetate
Also Known As: Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester, Methyl 4-((2-ethylthio-4(3H)-quinazolon-3-yl)phenyl)acetate, 4-(2-(Ethylthio)-4-oxo-3(4H)-quinazolinyl)benzeneacetic acid methyl ester, methyl 2-[4-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)phenyl]acetate, Methyl {4-[2-(ethylsulfanyl)-4-oxoquinazolin-3(4H)-yl]phenyl}acetate
| Molecular Formula | C19H18N2O3S |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 3.2132 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.10382 |
| Heavy Atoms | 25 |
| Complexity | 964.5603 |
Chemical Identifiers
| CAS Number | 102037-98-9 |
|---|---|
| SMILES | CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)CC(=O)OC |
Product Overview
Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester (CAS 102037-98-9), with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol. IUPAC: methyl 2-[4-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)phenyl]acetate.
Chemical Property Profile of Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester
Property Insights of Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester
The XLogP value of 3.2132 indicates that Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester 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 Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester 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 Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester?
The CAS number of Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester is 102037-98-9.
What is the molecular formula of Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester?
The molecular formula of Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester is C19H18N2O3S.
What is the molecular weight of Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester?
The molecular weight of Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester is 354.10 g/mol.
Where can I buy Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester?
You can request a quote for Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-(2-(ethylthio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.