Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate
TL;DR: Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate (CAS 102037-96-7) is a chemical compound with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]propanoate
Also Known As: Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate, Methyl 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)-alpha-methylbenzeneacetate, Benzeneacetic acid, 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)-alpha-methyl-, methyl ester, methyl 2-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]propanoate, Methyl 2-[4-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)phenyl]propanoate
| Molecular Formula | C18H16N2O3S |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 3.32479 |
| Topological Polar Surface Area | 64.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.08817 |
| Heavy Atoms | 24 |
| Complexity | 1018.8536 |
Chemical Identifiers
| CAS Number | 102037-96-7 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S)C(=O)OC |
Product Overview
Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate (CAS 102037-96-7), with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol. IUPAC: methyl 2-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]propanoate.
Chemical Property Profile of Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate
Property Insights of Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate
The XLogP value of 3.32479 indicates that Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate. Following Lipinski's Rule of Five, Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate has 1 hydrogen bond donor(s) and 4 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-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate?
The CAS number of Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate is 102037-96-7.
What is the molecular formula of Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate?
The molecular formula of Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate is C18H16N2O3S.
What is the molecular weight of Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate?
The molecular weight of Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate is 340.09 g/mol.
Where can I buy Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate?
You can request a quote for Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate 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-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-mercapto-4(3H)-quinazolon-3-yl)phenylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.