Benzeneacetic acid, 4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester
TL;DR: Benzeneacetic acid, 4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester (CAS 102038-07-3) is a chemical compound with molecular formula C24H26N2O4S and molecular weight 438.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[4-oxo-2-(2-oxoheptylsulfanyl)quinazolin-3-yl]phenyl]acetate
Also Known As: Benzeneacetic acid, 4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester, Methyl 4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)benzeneacetate, methyl 2-[4-[4-oxo-2-(2-oxoheptylsulfanyl)quinazolin-3-yl]phenyl]acetate, Methyl (4-{4-oxo-2-[(2-oxoheptyl)sulfanyl]quinazolin-3(4H)-yl}phenyl)acetate, RefChem:324189
| Molecular Formula | C24H26N2O4S |
|---|---|
| Molecular Weight | 438.16 g/mol |
| LogP | 4.3427 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 438.16132 |
| Heavy Atoms | 31 |
| Complexity | 1122.6226 |
Chemical Identifiers
| CAS Number | 102038-07-3 |
|---|---|
| SMILES | CCCCCC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)CC(=O)OC |
Product Overview
Benzeneacetic acid, 4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester (CAS 102038-07-3), with molecular formula C24H26N2O4S and molecular weight 438.16 g/mol. IUPAC: methyl 2-[4-[4-oxo-2-(2-oxoheptylsulfanyl)quinazolin-3-yl]phenyl]acetate.
Chemical Property Profile of Benzeneacetic acid, 4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester
Property Insights of Benzeneacetic acid, 4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester
The XLogP value of 4.3427 indicates that Benzeneacetic acid, 4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester has 0 hydrogen bond donor(s) and 6 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-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester?
The CAS number of Benzeneacetic acid, 4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester is 102038-07-3.
What is the molecular formula of Benzeneacetic acid, 4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester?
The molecular formula of Benzeneacetic acid, 4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester is C24H26N2O4S.
What is the molecular weight of Benzeneacetic acid, 4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester?
The molecular weight of Benzeneacetic acid, 4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester is 438.16 g/mol.
Where can I buy Benzeneacetic acid, 4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester?
You can request a quote for Benzeneacetic acid, 4-(4-oxo-2-((2-oxoheptyl)thio)-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-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-(4-oxo-2-((2-oxoheptyl)thio)-3(4H)-quinazolinyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.