methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate
TL;DR: methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate (CAS 547769-52-8) is a chemical compound with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate
Also Known As: methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate, J1.904.918C, 2X-0311, 4-(4-Methylphenyl)-3-(methoxycarbonyl)-5-cyano-6-amino-4H-pyran-2-acetic acid methyl ester, methyl 6-amino-5-cyano-2-(2-methoxy-2-oxo-ethyl)-4-(p-tolyl)-4H-pyran-3-carboxylate
| Molecular Formula | C18H18N2O5 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 1.7929 |
| Topological Polar Surface Area | 111.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.12158 |
| Heavy Atoms | 25 |
| Complexity | 799.7505 |
Chemical Identifiers
| CAS Number | 547769-52-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC)CC(=O)OC)N)C#N |
Product Overview
methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate (CAS 547769-52-8), with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol. IUPAC: methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate
Property Insights of methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate
The XLogP value of 1.7929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate. The TPSA of 111.64 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate has 1 hydrogen bond donor(s) and 7 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 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate?
The CAS number of methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate is 547769-52-8.
What is the molecular formula of methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate?
The molecular formula of methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate is C18H18N2O5.
What is the molecular weight of methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate?
The molecular weight of methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate is 342.12 g/mol.
Where can I buy methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate?
You can request a quote for methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-methylphenyl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.