Methyl 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate
TL;DR: Methyl 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate (CAS 852940-55-7) is a chemical compound with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoate
Also Known As: methyl 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate, methyl 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoate, methyl 3-(2-mercapto-4-oxoquinazolin-3(4H)-yl)propanoate, methyl 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoate, methyl 3-(4-hydroxy-2-sulfanylidenequinazolin-3-yl)propanoate
| Molecular Formula | C12H12N2O3S |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 1.62219 |
| Topological Polar Surface Area | 64.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.05685 |
| Heavy Atoms | 18 |
| Complexity | 702.27014 |
Chemical Identifiers
| CAS Number | 852940-55-7 |
|---|---|
| SMILES | COC(=O)CCN1C(=O)C2=CC=CC=C2NC1=S |
Product Overview
Methyl 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate (CAS 852940-55-7), with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol. IUPAC: methyl 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoate.
Chemical Property Profile of Methyl 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate
Property Insights of Methyl 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate
The XLogP value of 1.62219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate. The TPSA of 64.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate. Following Lipinski's Rule of Five, Methyl 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate 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 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate?
The CAS number of Methyl 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate is 852940-55-7.
What is the molecular formula of Methyl 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate?
The molecular formula of Methyl 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate is C12H12N2O3S.
What is the molecular weight of Methyl 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate?
The molecular weight of Methyl 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate is 264.06 g/mol.
Where can I buy Methyl 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate?
You can request a quote for Methyl 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate 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-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.