Methyl 3-(benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate
TL;DR: Methyl 3-(benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate (CAS 338404-89-0) is a chemical compound with molecular formula C15H13NO5 and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate
Also Known As: methyl 3-(benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate, Methyl 3-benzamido-6-methyl-2-oxo-2H-pyran-5-carboxylate, methyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate, methylbenzoylaminomethyloxopyrancarboxylate, J2.960.630G
| Molecular Formula | C15H13NO5 |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 1.98712 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.07938 |
| Heavy Atoms | 21 |
| Complexity | 733.47437 |
Chemical Identifiers
| CAS Number | 338404-89-0 |
|---|---|
| SMILES | CC1=C(C=C(C(=O)O1)NC(=O)C2=CC=CC=C2)C(=O)OC |
Product Overview
Methyl 3-(benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate (CAS 338404-89-0), with molecular formula C15H13NO5 and molecular weight 287.08 g/mol. IUPAC: methyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate.
Chemical Property Profile of Methyl 3-(benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate
Property Insights of Methyl 3-(benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate
The XLogP value of 1.98712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate. Following Lipinski's Rule of Five, Methyl 3-(benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate has 1 hydrogen bond donor(s) and 5 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)-6-methyl-2-oxo-2H-pyran-5-carboxylate?
The CAS number of Methyl 3-(benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate is 338404-89-0.
What is the molecular formula of Methyl 3-(benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate?
The molecular formula of Methyl 3-(benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate is C15H13NO5.
What is the molecular weight of Methyl 3-(benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate?
The molecular weight of Methyl 3-(benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate is 287.08 g/mol.
Where can I buy Methyl 3-(benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate?
You can request a quote for Methyl 3-(benzoylamino)-6-methyl-2-oxo-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)-6-methyl-2-oxo-2H-pyran-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.