methyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate
TL;DR: methyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate (CAS 300705-38-8) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate
Also Known As: BAS 07415405, methyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate
| Molecular Formula | C17H18N2O3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 2.50368 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.13174 |
| Heavy Atoms | 22 |
| Complexity | 693.6094 |
Chemical Identifiers
| CAS Number | 300705-38-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC)C)N)C#N |
Product Overview
methyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate (CAS 300705-38-8), with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol. IUPAC: methyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate.
Chemical Property Profile of methyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate
Property Insights of methyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate
The XLogP value of 2.50368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-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-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, methyl 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 methyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate?
The CAS number of methyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate is 300705-38-8.
What is the molecular formula of methyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate?
The molecular formula of methyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate is C17H18N2O3.
What is the molecular weight of methyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate?
The molecular weight of methyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate is 298.13 g/mol.
Where can I buy methyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate?
You can request a quote for methyl 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 methyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 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.