![(7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate structure](/static/products/121/1211702-79-2.png)
(7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate
TL;DR: (7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate (CAS 1211702-79-2) is a chemical compound with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-hydroxy-2-oxochromen-4-yl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate
Also Known As: (7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate, (7-hydroxy-2-oxochromen-4-yl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate
| Molecular Formula | C20H20N2O5S |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 3.30334 |
| Topological Polar Surface Area | 102.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.10928 |
| Heavy Atoms | 28 |
| Complexity | 1070.6316 |
Chemical Identifiers
| CAS Number | 1211702-79-2 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O |
Product Overview
(7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate (CAS 1211702-79-2), with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol. IUPAC: (7-hydroxy-2-oxochromen-4-yl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate.
Chemical Property Profile of (7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate
Property Insights of (7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate
The XLogP value of 3.30334 indicates that (7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.52 Ų falls within the moderate polarity range, balancing permeability and solubility for (7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate. Following Lipinski's Rule of Five, (7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate has 1 hydrogen bond donor(s) and 8 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 (7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate?
The CAS number of (7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate is 1211702-79-2.
What is the molecular formula of (7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate?
The molecular formula of (7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate is C20H20N2O5S.
What is the molecular weight of (7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate?
The molecular weight of (7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate is 400.11 g/mol.
Where can I buy (7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate?
You can request a quote for (7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for (7-hydroxy-2-oxo-2H-chromen-4-yl)methyl 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.