benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate
TL;DR: benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate (CAS 304872-77-3) is a chemical compound with molecular formula C23H22N2O3 and molecular weight 374.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate
Also Known As: benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate, A0565/0026093, phenylmethyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate
| Molecular Formula | C23H22N2O3 |
|---|---|
| Molecular Weight | 374.16 g/mol |
| LogP | 4.07408 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.16306 |
| Heavy Atoms | 28 |
| Complexity | 967.15704 |
Chemical Identifiers
| CAS Number | 304872-77-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OCC3=CC=CC=C3)C)N)C#N |
Product Overview
benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate (CAS 304872-77-3), with molecular formula C23H22N2O3 and molecular weight 374.16 g/mol. IUPAC: benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate.
Chemical Property Profile of benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate
Property Insights of benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate
The XLogP value of 4.07408 indicates that benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-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 benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate?
The CAS number of benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate is 304872-77-3.
What is the molecular formula of benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate?
The molecular formula of benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate is C23H22N2O3.
What is the molecular weight of benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate?
The molecular weight of benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate is 374.16 g/mol.
Where can I buy benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate?
You can request a quote for benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-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 benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.