![methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate structure](/static/products/4449/444907-91-9.webp)
methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
TL;DR: methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate (CAS 444907-91-9) is a chemical compound with molecular formula C16H13F3N2O3 and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
Also Known As: methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate, methyl 2-amino-5-cyano-6-methyl-4-(2-(trifluoromethyl)phenyl)-4H-pyran-3-carboxylate
| Molecular Formula | C16H13F3N2O3 |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 2.96008 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.08783 |
| Heavy Atoms | 24 |
| Complexity | 788.49274 |
Chemical Identifiers
| CAS Number | 444907-91-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(O1)N)C(=O)OC)C2=CC=CC=C2C(F)(F)F)C#N |
Product Overview
methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate (CAS 444907-91-9), with molecular formula C16H13F3N2O3 and molecular weight 338.09 g/mol. IUPAC: methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate.
Chemical Property Profile of methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
Property Insights of methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
The XLogP value of 2.96008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-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 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate?
The CAS number of methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate is 444907-91-9.
What is the molecular formula of methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate?
The molecular formula of methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate is C16H13F3N2O3.
What is the molecular weight of methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate?
The molecular weight of methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate is 338.09 g/mol.
Where can I buy methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate?
You can request a quote for methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-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 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-amino-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.