methyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate
TL;DR: methyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate (CAS 300388-62-9) is a chemical compound with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate
Also Known As: IFLab1_006218, methyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate, BAS 07415414, AB00674519-01, AB00674519-03
| Molecular Formula | C16H16N2O3 |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 2.2497 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.1161 |
| Heavy Atoms | 21 |
| Complexity | 695.7188 |
Chemical Identifiers
| CAS Number | 300388-62-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C2C(=C(OC(=C2C(=O)OC)C)N)C#N |
Product Overview
methyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate (CAS 300388-62-9), with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol. IUPAC: methyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of methyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate
Property Insights of methyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate
The XLogP value of 2.2497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, methyl 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 methyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate?
The CAS number of methyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate is 300388-62-9.
What is the molecular formula of methyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate?
The molecular formula of methyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate is C16H16N2O3.
What is the molecular weight of methyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate?
The molecular weight of methyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate is 284.12 g/mol.
Where can I buy methyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate?
You can request a quote for methyl 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 methyl 6-amino-5-cyano-2-methyl-4-(2-methylphenyl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 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.