benzyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate
TL;DR: benzyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate (CAS 304875-18-1) is a chemical compound with molecular formula C22H20N2O3 and molecular weight 360.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate
Also Known As: benzyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate, AB00674513-01, benzyl 6-amino-5-cyano-2-methyl-4-(o-tolyl)-4H-pyran-3-carboxylate, F1524-0319, A0565/0026099
| Molecular Formula | C22H20N2O3 |
|---|---|
| Molecular Weight | 360.15 g/mol |
| LogP | 3.8201 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.1474 |
| Heavy Atoms | 27 |
| Complexity | 968.5524 |
Chemical Identifiers
| CAS Number | 304875-18-1 |
|---|---|
| SMILES | CC1=CC=CC=C1C2C(=C(OC(=C2C(=O)OCC3=CC=CC=C3)C)N)C#N |
Product Overview
benzyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate (CAS 304875-18-1), with molecular formula C22H20N2O3 and molecular weight 360.15 g/mol. IUPAC: benzyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of benzyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate
Property Insights of benzyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate
The XLogP value of 3.8201 indicates that benzyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-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-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, benzyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-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-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate?
The CAS number of benzyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate is 304875-18-1.
What is the molecular formula of benzyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate?
The molecular formula of benzyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate is C22H20N2O3.
What is the molecular weight of benzyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate?
The molecular weight of benzyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate is 360.15 g/mol.
Where can I buy benzyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate?
You can request a quote for benzyl 6-amino-5-cyano-2-methyl-4-(2-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 benzyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.