(2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid methyl ester
TL;DR: (2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid methyl ester (CAS 585553-35-1) is a chemical compound with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-oxo-2-propan-2-ylsulfanylquinazolin-3-yl)oxyacetate
Also Known As: methyl 2-((2-(isopropylthio)-4-oxoquinazolin-3(4H)-yl)oxy)acetate, methyl 2-(4-oxo-2-propan-2-ylsulfanylquinazolin-3-yl)oxyacetate, (2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid methyl ester, methyl {[4-oxo-2-(propan-2-ylsulfanyl)quinazolin-3(4H)-yl]oxy}acetate
| Molecular Formula | C14H16N2O4S |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 1.4986 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.08307 |
| Heavy Atoms | 21 |
| Complexity | 711.6765 |
Chemical Identifiers
| CAS Number | 585553-35-1 |
|---|---|
| SMILES | CC(C)SC1=NC2=CC=CC=C2C(=O)N1OCC(=O)OC |
Product Overview
(2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid methyl ester (CAS 585553-35-1), with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol. IUPAC: methyl 2-(4-oxo-2-propan-2-ylsulfanylquinazolin-3-yl)oxyacetate.
Chemical Property Profile of (2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid methyl ester
Property Insights of (2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid methyl ester
The XLogP value of 1.4986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid methyl ester. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid methyl ester. Following Lipinski's Rule of Five, (2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid 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 (2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid methyl ester?
The CAS number of (2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid methyl ester is 585553-35-1.
What is the molecular formula of (2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid methyl ester?
The molecular formula of (2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid methyl ester is C14H16N2O4S.
What is the molecular weight of (2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid methyl ester?
The molecular weight of (2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid methyl ester is 308.08 g/mol.
Where can I buy (2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid methyl ester?
You can request a quote for (2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (2-Isopropylsulfanyl-4-oxo-4H-quinazolin-3-yloxy)-acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.