![ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate structure](/static/products/4382/438217-02-8.webp)
ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate (CAS 438217-02-8) is a chemical compound with molecular formula C25H25BrN2O4 and molecular weight 496.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
Also Known As: ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate, ethyl 6-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
| Molecular Formula | C25H25BrN2O4 |
|---|---|
| Molecular Weight | 496.10 g/mol |
| LogP | 5.28972 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.09976 |
| Heavy Atoms | 32 |
| Complexity | 1161.0172 |
Chemical Identifiers
| CAS Number | 438217-02-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=C(C=C(C(=C2)COC3=CC=CC=C3Br)C)C)C#N)N)C |
Product Overview
ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate (CAS 438217-02-8), with molecular formula C25H25BrN2O4 and molecular weight 496.10 g/mol. IUPAC: ethyl 6-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
The XLogP value of 5.28972 indicates that ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.57 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate is 438217-02-8.
What is the molecular formula of ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate is C25H25BrN2O4.
What is the molecular weight of ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate is 496.10 g/mol.
Where can I buy ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-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 ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.