methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate
TL;DR: methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate (CAS 313379-54-3) is a chemical compound with molecular formula C16H15FN2O4 and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate
Also Known As: methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate, BAS 07416348, A1330/0060166, methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxy late, methyl6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate
| Molecular Formula | C16H15FN2O4 |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 1.70688 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.1016 |
| Heavy Atoms | 23 |
| Complexity | 733.84094 |
Chemical Identifiers
| CAS Number | 313379-54-3 |
|---|---|
| SMILES | COCC1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2F)C(=O)OC |
Product Overview
methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate (CAS 313379-54-3), with molecular formula C16H15FN2O4 and molecular weight 318.10 g/mol. IUPAC: methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate
Property Insights of methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate
The XLogP value of 1.70688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate. The TPSA of 94.57 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate has 1 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 methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate?
The CAS number of methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate is 313379-54-3.
What is the molecular formula of methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate?
The molecular formula of methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate is C16H15FN2O4.
What is the molecular weight of methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate?
The molecular weight of methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate is 318.10 g/mol.
Where can I buy methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate?
You can request a quote for methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-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-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-(methoxymethyl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.