![methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate structure](/static/products/341/341966-37-8.png)
methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate
TL;DR: methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate (CAS 341966-37-8) is a chemical compound with molecular formula C20H15N3O8 and molecular weight 425.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-benzamido-2-[2-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethenyl]-6-oxopyran-3-carboxylate
Also Known As: methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate
| Molecular Formula | C20H15N3O8 |
|---|---|
| Molecular Weight | 425.09 g/mol |
| LogP | 0.9313 |
| Topological Polar Surface Area | 171.56 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.0859 |
| Heavy Atoms | 31 |
| Complexity | 1349.3184 |
Chemical Identifiers
| CAS Number | 341966-37-8 |
|---|---|
| SMILES | COC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC=CC=C2)C=CC3=C(NC(=O)NC3=O)O |
Product Overview
methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate (CAS 341966-37-8), with molecular formula C20H15N3O8 and molecular weight 425.09 g/mol. IUPAC: methyl 5-benzamido-2-[2-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethenyl]-6-oxopyran-3-carboxylate.
Chemical Property Profile of methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate
Property Insights of methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate
The XLogP value of 0.9313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate. The TPSA of 171.56 Ų indicates high polarity, suggesting methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate has 4 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 methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate?
The CAS number of methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate is 341966-37-8.
What is the molecular formula of methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate?
The molecular formula of methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate is C20H15N3O8.
What is the molecular weight of methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate?
The molecular weight of methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate is 425.09 g/mol.
Where can I buy methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate?
You can request a quote for methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-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-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(benzoylamino)-2-oxo-6-[(E)-2-(2,4,6-trihydroxy-5-pyrimidinyl)ethenyl]-2H-pyran-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.