Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate
TL;DR: Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate (CAS 102038-09-5) is a chemical compound with molecular formula C24H28N2O4S and molecular weight 440.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[2-(2-hydroxyheptylsulfanyl)-4-oxoquinazolin-3-yl]phenyl]acetate
Also Known As: Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate, Methyl 4-(2-((2-hydroxyheptyl)thio)-4-oxo-3(4H)-quinazolinyl)benzeneacetate, Benzeneacetic acid, 4-(2-((2-hydroxyheptyl)thio)-4-oxo-3(4H)-quinazolinyl)-, methyl ester, methyl 2-[4-[2-(2-hydroxyheptylsulfanyl)-4-oxoquinazolin-3-yl]phenyl]acetate, Benzeneacetic acid,4-[2-[(2-hydroxyheptyl)thio]-4-oxo-3(4H)-quinazolinyl]-, methyl ester
| Molecular Formula | C24H28N2O4S |
|---|---|
| Molecular Weight | 440.18 g/mol |
| LogP | 4.1345 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 440.17697 |
| Heavy Atoms | 31 |
| Complexity | 1079.1246 |
Chemical Identifiers
| CAS Number | 102038-09-5 |
|---|---|
| SMILES | CCCCCC(CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)CC(=O)OC)O |
Product Overview
Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate (CAS 102038-09-5), with molecular formula C24H28N2O4S and molecular weight 440.18 g/mol. IUPAC: methyl 2-[4-[2-(2-hydroxyheptylsulfanyl)-4-oxoquinazolin-3-yl]phenyl]acetate.
Chemical Property Profile of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate
Property Insights of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate
The XLogP value of 4.1345 indicates that Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate. Following Lipinski's Rule of Five, Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate has 1 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 Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate?
The CAS number of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate is 102038-09-5.
What is the molecular formula of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate?
The molecular formula of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate is C24H28N2O4S.
What is the molecular weight of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate?
The molecular weight of Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate is 440.18 g/mol.
Where can I buy Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate?
You can request a quote for Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate 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-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-(2-hydroxyheptylthio)-4(3H)-quinazolon-3-yl)phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.