methyl 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate
TL;DR: methyl 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate (CAS 376377-48-9) is a chemical compound with molecular formula C16H15NO5 and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate
Also Known As: methyl 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate, methyl 2-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate, methyl 2-{[(4,6-dimethyl-2-oxo-2H-pyran-5-yl)carbonyl]amino}benzoate
| Molecular Formula | C16H15NO5 |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 2.29554 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.09503 |
| Heavy Atoms | 22 |
| Complexity | 765.11346 |
Chemical Identifiers
| CAS Number | 376377-48-9 |
|---|---|
| SMILES | CC1=CC(=O)OC(=C1C(=O)NC2=CC=CC=C2C(=O)OC)C |
Product Overview
methyl 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate (CAS 376377-48-9), with molecular formula C16H15NO5 and molecular weight 301.10 g/mol. IUPAC: methyl 2-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate.
Chemical Property Profile of methyl 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate
Property Insights of methyl 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate
The XLogP value of 2.29554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate. Following Lipinski's Rule of Five, methyl 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate 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 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate?
The CAS number of methyl 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate is 376377-48-9.
What is the molecular formula of methyl 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate?
The molecular formula of methyl 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate is C16H15NO5.
What is the molecular weight of methyl 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate?
The molecular weight of methyl 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate is 301.10 g/mol.
Where can I buy methyl 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate?
You can request a quote for methyl 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4,6-dimethyl-2-oxo-2H-pyran-5-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.