ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate (CAS 5154-59-6) is a chemical compound with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_004439, ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate, BAS 01125586, J2.491.057A, AB00074612-01
| Molecular Formula | C16H16N2O4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 2.03698 |
| Topological Polar Surface Area | 105.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.111 |
| Heavy Atoms | 22 |
| Complexity | 695.85114 |
Chemical Identifiers
| CAS Number | 5154-59-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)O)C#N)N)C |
Product Overview
ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate (CAS 5154-59-6), with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol. IUPAC: ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate
The XLogP value of 2.03698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate. The TPSA of 105.57 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate has 2 hydrogen bond donor(s) and 6 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 ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate is 5154-59-6.
What is the molecular formula of ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate is C16H16N2O4.
What is the molecular weight of ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate is 300.11 g/mol.
Where can I buy ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-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 ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.