![methyl 3-[(4-chlorobenzoyl)amino]-6-methyl-2-oxo-2H-pyran-5-carboxylate structure](/static/products/3384/338404-91-4.webp)
methyl 3-[(4-chlorobenzoyl)amino]-6-methyl-2-oxo-2H-pyran-5-carboxylate
TL;DR: methyl 3-[(4-chlorobenzoyl)amino]-6-methyl-2-oxo-2H-pyran-5-carboxylate (CAS 338404-91-4) is a chemical compound with molecular formula C15H12ClNO5 and molecular weight 321.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(4-chlorobenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate
Also Known As: 3E-931, methyl 3-[(4-chlorobenzoyl)amino]-6-methyl-2-oxo-2H-pyran-5-carboxylate, methyl 5-[(4-chlorobenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate, methyl 3-(4-chlorobenzamido)-6-methyl-2-oxo-2H-pyran-5-carboxylate, methyl3-(4-chlorobenzamido)-6-methyl-2-oxo-2H-pyran-5-carboxylate
| Molecular Formula | C15H12ClNO5 |
|---|---|
| Molecular Weight | 321.04 g/mol |
| LogP | 2.64052 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0404 |
| Heavy Atoms | 22 |
| Complexity | 779.5101 |
Chemical Identifiers
| CAS Number | 338404-91-4 |
|---|---|
| SMILES | CC1=C(C=C(C(=O)O1)NC(=O)C2=CC=C(C=C2)Cl)C(=O)OC |
Product Overview
methyl 3-[(4-chlorobenzoyl)amino]-6-methyl-2-oxo-2H-pyran-5-carboxylate (CAS 338404-91-4), with molecular formula C15H12ClNO5 and molecular weight 321.04 g/mol. IUPAC: methyl 5-[(4-chlorobenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate.
Chemical Property Profile of methyl 3-[(4-chlorobenzoyl)amino]-6-methyl-2-oxo-2H-pyran-5-carboxylate
Property Insights of methyl 3-[(4-chlorobenzoyl)amino]-6-methyl-2-oxo-2H-pyran-5-carboxylate
The XLogP value of 2.64052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-[(4-chlorobenzoyl)amino]-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-[(4-chlorobenzoyl)amino]-6-methyl-2-oxo-2H-pyran-5-carboxylate. Following Lipinski's Rule of Five, methyl 3-[(4-chlorobenzoyl)amino]-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-[(4-chlorobenzoyl)amino]-6-methyl-2-oxo-2H-pyran-5-carboxylate?
The CAS number of methyl 3-[(4-chlorobenzoyl)amino]-6-methyl-2-oxo-2H-pyran-5-carboxylate is 338404-91-4.
What is the molecular formula of methyl 3-[(4-chlorobenzoyl)amino]-6-methyl-2-oxo-2H-pyran-5-carboxylate?
The molecular formula of methyl 3-[(4-chlorobenzoyl)amino]-6-methyl-2-oxo-2H-pyran-5-carboxylate is C15H12ClNO5.
What is the molecular weight of methyl 3-[(4-chlorobenzoyl)amino]-6-methyl-2-oxo-2H-pyran-5-carboxylate?
The molecular weight of methyl 3-[(4-chlorobenzoyl)amino]-6-methyl-2-oxo-2H-pyran-5-carboxylate is 321.04 g/mol.
Where can I buy methyl 3-[(4-chlorobenzoyl)amino]-6-methyl-2-oxo-2H-pyran-5-carboxylate?
You can request a quote for methyl 3-[(4-chlorobenzoyl)amino]-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-[(4-chlorobenzoyl)amino]-6-methyl-2-oxo-2H-pyran-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[(4-chlorobenzoyl)amino]-6-methyl-2-oxo-2H-pyran-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.