![methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate structure](/static/products/525/525581-58-2.png)
methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
TL;DR: methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate (CAS 525581-58-2) is a chemical compound with molecular formula C19H16N2O5S and molecular weight 384.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-ethoxycarbonylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate
Also Known As: methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate, methyl 3-[4-(ethoxycarbonyl)phenyl]-2-mercapto-4-oxo-3,4-dihydro-7-quinazolinecarboxylate, methyl 3-(4-ethoxycarbonylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate, methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,3-dihydroquinazoline-7-ca rboxylate, methyl 3-(4-(ethoxycarbonyl)phenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
| Molecular Formula | C19H16N2O5S |
|---|---|
| Molecular Weight | 384.08 g/mol |
| LogP | 3.01159 |
| Topological Polar Surface Area | 90.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.078 |
| Heavy Atoms | 27 |
| Complexity | 1145.4591 |
Chemical Identifiers
| CAS Number | 525581-58-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S |
Product Overview
methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate (CAS 525581-58-2), with molecular formula C19H16N2O5S and molecular weight 384.08 g/mol. IUPAC: methyl 3-(4-ethoxycarbonylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate.
Chemical Property Profile of methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Property Insights of methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
The XLogP value of 3.01159 indicates that methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.39 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate. Following Lipinski's Rule of Five, methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate 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 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
The CAS number of methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate is 525581-58-2.
What is the molecular formula of methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
The molecular formula of methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate is C19H16N2O5S.
What is the molecular weight of methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
The molecular weight of methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate is 384.08 g/mol.
Where can I buy methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
You can request a quote for methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[4-(ethoxycarbonyl)phenyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.